NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508734 |
2yqq   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yqq
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 27
_Distance_constraint_stats_list.Viol_count 336
_Distance_constraint_stats_list.Viol_total 113.574
_Distance_constraint_stats_list.Viol_max 0.083
_Distance_constraint_stats_list.Viol_rms 0.0172
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0105
_Distance_constraint_stats_list.Viol_average_violations_only 0.0169
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 15 CYS 0.275 0.018 14 0 "[ . 1 . 2]"
1 18 CYS 0.317 0.014 14 0 "[ . 1 . 2]"
1 26 CYS 0.217 0.020 2 0 "[ . 1 . 2]"
1 29 CYS 0.933 0.059 20 0 "[ . 1 . 2]"
1 34 CYS 3.364 0.083 15 0 "[ . 1 . 2]"
1 38 CYS 1.238 0.037 5 0 "[ . 1 . 2]"
1 42 HIS 0.550 0.025 20 0 "[ . 1 . 2]"
1 46 CYS 0.282 0.015 20 0 "[ . 1 . 2]"
2 1 ZN 3.338 0.083 15 0 "[ . 1 . 2]"
3 1 ZN 0.843 0.059 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 15 CYS SG 2 1 ZN ZN . 2.190 2.390 2.313 2.265 2.368 . 0 0 "[ . 1 . 2]" 1
2 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.254 3.241 3.347 0.009 14 0 "[ . 1 . 2]" 1
3 1 18 CYS SG 2 1 ZN ZN . 2.190 2.390 2.359 2.217 2.394 0.004 1 0 "[ . 1 . 2]" 1
4 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.510 3.421 3.524 0.014 9 0 "[ . 1 . 2]" 1
5 1 34 CYS SG 2 1 ZN ZN . 2.190 2.390 2.134 2.124 2.150 0.066 11 0 "[ . 1 . 2]" 1
6 1 34 CYS CB 2 1 ZN ZN . 3.250 3.510 3.579 3.564 3.593 0.083 15 0 "[ . 1 . 2]" 1
7 1 38 CYS SG 2 1 ZN ZN . 2.190 2.390 2.417 2.407 2.427 0.037 5 0 "[ . 1 . 2]" 1
8 1 38 CYS CB 2 1 ZN ZN . 3.250 3.510 3.255 3.236 3.385 0.014 11 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 18 CYS SG . 3.560 3.960 3.789 3.661 3.883 . 0 0 "[ . 1 . 2]" 1
10 1 15 CYS SG 1 34 CYS SG . 3.560 3.960 3.970 3.963 3.978 0.018 14 0 "[ . 1 . 2]" 1
11 1 15 CYS SG 1 38 CYS SG . 3.560 3.960 3.722 3.558 3.796 0.002 9 0 "[ . 1 . 2]" 1
12 1 18 CYS SG 1 34 CYS SG . 3.560 3.960 3.557 3.548 3.588 0.012 13 0 "[ . 1 . 2]" 1
13 1 18 CYS SG 1 38 CYS SG . 3.560 3.960 3.950 3.877 3.974 0.014 14 0 "[ . 1 . 2]" 1
14 1 34 CYS SG 1 38 CYS SG . 3.560 3.960 3.532 3.525 3.549 0.035 5 0 "[ . 1 . 2]" 1
15 1 26 CYS SG 3 1 ZN ZN . 2.190 2.390 2.394 2.384 2.410 0.020 2 0 "[ . 1 . 2]" 1
16 1 26 CYS CB 3 1 ZN ZN . 3.250 3.510 3.329 3.235 3.464 0.015 2 0 "[ . 1 . 2]" 1
17 1 29 CYS SG 3 1 ZN ZN . 2.190 2.390 2.179 2.144 2.206 0.046 20 0 "[ . 1 . 2]" 1
18 1 29 CYS CB 3 1 ZN ZN . 3.250 3.510 3.526 3.507 3.569 0.059 20 0 "[ . 1 . 2]" 1
19 1 42 HIS NE2 3 1 ZN ZN . . 2.100 2.108 2.100 2.125 0.025 20 0 "[ . 1 . 2]" 1
20 1 46 CYS SG 3 1 ZN ZN . 2.190 2.390 2.280 2.197 2.391 0.001 14 0 "[ . 1 . 2]" 1
21 1 46 CYS CB 3 1 ZN ZN . 3.250 3.510 3.302 3.244 3.389 0.006 8 0 "[ . 1 . 2]" 1
22 1 26 CYS SG 1 29 CYS SG . 3.560 3.960 3.677 3.549 3.948 0.011 11 0 "[ . 1 . 2]" 1
23 1 26 CYS SG 1 42 HIS NE2 . 3.320 3.720 3.612 3.312 3.728 0.008 10 0 "[ . 1 . 2]" 1
24 1 26 CYS SG 1 46 CYS SG . 3.560 3.960 3.943 3.793 3.968 0.008 20 0 "[ . 1 . 2]" 1
25 1 29 CYS SG 1 42 HIS NE2 . 3.320 3.720 3.307 3.295 3.316 0.025 20 0 "[ . 1 . 2]" 1
26 1 29 CYS SG 1 46 CYS SG . 3.560 3.960 3.963 3.928 3.971 0.011 8 0 "[ . 1 . 2]" 1
27 1 42 HIS NE2 1 46 CYS SG . 3.320 3.720 3.315 3.305 3.320 0.015 20 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 684
_Distance_constraint_stats_list.Viol_count 430
_Distance_constraint_stats_list.Viol_total 263.802
_Distance_constraint_stats_list.Viol_max 0.150
_Distance_constraint_stats_list.Viol_rms 0.0071
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0307
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 12 THR 0.487 0.140 19 0 "[ . 1 . 2]"
1 13 VAL 0.781 0.140 19 0 "[ . 1 . 2]"
1 14 VAL 0.318 0.056 20 0 "[ . 1 . 2]"
1 15 CYS 0.714 0.059 9 0 "[ . 1 . 2]"
1 16 VAL 1.659 0.085 9 0 "[ . 1 . 2]"
1 17 ILE 2.683 0.085 9 0 "[ . 1 . 2]"
1 18 CYS 0.251 0.049 9 0 "[ . 1 . 2]"
1 19 LEU 0.299 0.056 20 0 "[ . 1 . 2]"
1 20 GLU 1.925 0.127 19 0 "[ . 1 . 2]"
1 21 LYS 2.047 0.150 9 0 "[ . 1 . 2]"
1 22 PRO 2.152 0.097 6 0 "[ . 1 . 2]"
1 23 LYS 0.168 0.071 9 0 "[ . 1 . 2]"
1 24 TYR 0.268 0.037 8 0 "[ . 1 . 2]"
1 25 ARG 1.689 0.097 6 0 "[ . 1 . 2]"
1 26 CYS 0.266 0.036 18 0 "[ . 1 . 2]"
1 27 PRO 0.167 0.046 11 0 "[ . 1 . 2]"
1 28 ALA 0.028 0.014 4 0 "[ . 1 . 2]"
1 29 CYS 0.035 0.018 20 0 "[ . 1 . 2]"
1 30 ARG 0.028 0.016 9 0 "[ . 1 . 2]"
1 31 VAL 0.021 0.021 20 0 "[ . 1 . 2]"
1 32 PRO 0.586 0.044 10 0 "[ . 1 . 2]"
1 33 TYR 1.090 0.058 8 0 "[ . 1 . 2]"
1 34 CYS 1.215 0.071 9 0 "[ . 1 . 2]"
1 35 SER 0.382 0.059 9 0 "[ . 1 . 2]"
1 36 VAL 0.329 0.058 20 0 "[ . 1 . 2]"
1 37 VAL 0.340 0.059 9 0 "[ . 1 . 2]"
1 38 CYS 0.436 0.053 10 0 "[ . 1 . 2]"
1 39 PHE 0.452 0.061 8 0 "[ . 1 . 2]"
1 40 ARG 0.145 0.043 15 0 "[ . 1 . 2]"
1 41 LYS 0.531 0.053 9 0 "[ . 1 . 2]"
1 42 HIS 0.065 0.030 8 0 "[ . 1 . 2]"
1 43 LYS 0.348 0.058 16 0 "[ . 1 . 2]"
1 44 GLU 0.818 0.092 9 0 "[ . 1 . 2]"
1 45 GLN 0.148 0.062 4 0 "[ . 1 . 2]"
1 46 CYS 0.217 0.058 16 0 "[ . 1 . 2]"
1 47 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 PRO 0.560 0.097 19 0 "[ . 1 . 2]"
1 49 GLU 0.775 0.097 10 0 "[ . 1 . 2]"
1 50 THR 0.190 0.097 10 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 28 ALA H 1 29 CYS H . . 3.420 2.515 2.331 2.685 . 0 0 "[ . 1 . 2]" 2
2 1 29 CYS H 1 29 CYS HB2 . . 3.850 3.612 3.566 3.638 . 0 0 "[ . 1 . 2]" 2
3 1 13 VAL H 1 13 VAL MG1 . . 3.520 2.367 2.167 2.708 . 0 0 "[ . 1 . 2]" 2
4 1 13 VAL H 1 13 VAL HB . . 3.840 2.923 2.331 3.621 . 0 0 "[ . 1 . 2]" 2
5 1 12 THR HA 1 13 VAL H . . 3.430 2.416 2.143 3.570 0.140 19 0 "[ . 1 . 2]" 2
6 1 14 VAL H 1 14 VAL MG2 . . 3.140 2.071 1.868 2.324 . 0 0 "[ . 1 . 2]" 2
7 1 13 VAL MG2 1 14 VAL H . . 3.670 1.944 1.844 2.104 . 0 0 "[ . 1 . 2]" 2
8 1 13 VAL HB 1 14 VAL H . . 4.080 3.991 3.866 4.090 0.010 4 0 "[ . 1 . 2]" 2
9 1 13 VAL H 1 14 VAL H . . 4.690 4.475 4.187 4.636 . 0 0 "[ . 1 . 2]" 2
10 1 14 VAL HB 1 15 CYS H . . 3.460 2.504 2.311 2.684 . 0 0 "[ . 1 . 2]" 2
11 1 15 CYS H 1 20 GLU H . . 4.550 2.664 2.352 2.941 . 0 0 "[ . 1 . 2]" 2
12 1 16 VAL H 1 16 VAL MG1 . . 3.540 2.452 2.283 2.610 . 0 0 "[ . 1 . 2]" 2
13 1 16 VAL H 1 16 VAL HB . . 3.630 3.628 3.619 3.639 0.009 9 0 "[ . 1 . 2]" 2
14 1 16 VAL H 1 17 ILE HG12 . . 5.100 3.466 3.310 3.625 . 0 0 "[ . 1 . 2]" 2
15 1 16 VAL H 1 32 PRO HB2 . . 5.320 3.536 3.340 3.772 . 0 0 "[ . 1 . 2]" 2
16 1 14 VAL MG2 1 16 VAL H . . 5.420 5.020 4.908 5.170 . 0 0 "[ . 1 . 2]" 2
17 1 16 VAL H 1 17 ILE MD . . 5.500 4.387 4.120 4.562 . 0 0 "[ . 1 . 2]" 2
18 1 17 ILE H 1 17 ILE HG12 . . 3.720 2.641 2.584 2.689 . 0 0 "[ . 1 . 2]" 2
19 1 16 VAL H 1 17 ILE H . . 3.970 2.777 2.744 2.865 . 0 0 "[ . 1 . 2]" 2
20 1 17 ILE H 1 19 LEU H . . 4.580 2.666 2.504 2.742 . 0 0 "[ . 1 . 2]" 2
21 1 17 ILE HG12 1 18 CYS H . . 4.500 3.919 3.804 4.007 . 0 0 "[ . 1 . 2]" 2
22 1 18 CYS H 1 18 CYS HB3 . . 3.750 2.903 2.838 2.952 . 0 0 "[ . 1 . 2]" 2
23 1 17 ILE HB 1 18 CYS H . . 3.230 2.234 2.145 2.317 . 0 0 "[ . 1 . 2]" 2
24 1 15 CYS HB3 1 18 CYS H . . 3.710 2.562 2.433 2.688 . 0 0 "[ . 1 . 2]" 2
25 1 18 CYS H 1 19 LEU HA . . 4.520 4.255 4.210 4.305 . 0 0 "[ . 1 . 2]" 2
26 1 17 ILE H 1 18 CYS H . . 3.310 2.234 2.133 2.327 . 0 0 "[ . 1 . 2]" 2
27 1 19 LEU H 1 19 LEU MD1 . . 4.650 3.513 2.387 4.425 . 0 0 "[ . 1 . 2]" 2
28 1 14 VAL HB 1 19 LEU H . . 4.570 4.559 4.454 4.626 0.056 20 0 "[ . 1 . 2]" 2
29 1 19 LEU H 1 19 LEU HB2 . . 3.970 3.603 3.357 3.746 . 0 0 "[ . 1 . 2]" 2
30 1 15 CYS HB2 1 19 LEU H . . 4.120 3.680 3.638 3.901 . 0 0 "[ . 1 . 2]" 2
31 1 15 CYS HB3 1 19 LEU H . . 3.430 1.926 1.879 2.161 . 0 0 "[ . 1 . 2]" 2
32 1 19 LEU H 1 19 LEU HA . . 2.910 2.277 2.273 2.283 . 0 0 "[ . 1 . 2]" 2
33 1 18 CYS H 1 19 LEU H . . 3.250 2.008 1.970 2.083 . 0 0 "[ . 1 . 2]" 2
34 1 19 LEU H 1 20 GLU H . . 3.610 2.724 2.573 2.803 . 0 0 "[ . 1 . 2]" 2
35 1 15 CYS H 1 19 LEU H . . 4.530 4.158 3.955 4.311 . 0 0 "[ . 1 . 2]" 2
36 1 20 GLU H 1 20 GLU HB2 . . 3.330 2.683 2.550 2.757 . 0 0 "[ . 1 . 2]" 2
37 1 15 CYS HB2 1 20 GLU H . . 3.880 2.478 2.332 2.609 . 0 0 "[ . 1 . 2]" 2
38 1 21 LYS H 1 21 LYS HG3 . . 4.620 3.447 2.298 4.596 . 0 0 "[ . 1 . 2]" 2
39 1 21 LYS H 1 21 LYS HB2 . . 3.630 2.426 2.133 2.721 . 0 0 "[ . 1 . 2]" 2
40 1 20 GLU HB3 1 21 LYS H . . 2.940 2.506 2.156 2.608 . 0 0 "[ . 1 . 2]" 2
41 1 20 GLU HA 1 21 LYS H . . 3.080 2.369 2.327 2.528 . 0 0 "[ . 1 . 2]" 2
42 1 24 TYR H 1 24 TYR HB2 . . 3.540 3.034 2.970 3.105 . 0 0 "[ . 1 . 2]" 2
43 1 22 PRO HB2 1 24 TYR H . . 3.950 3.739 3.543 3.857 . 0 0 "[ . 1 . 2]" 2
44 1 24 TYR H 1 24 TYR HB3 . . 3.970 3.897 3.871 3.941 . 0 0 "[ . 1 . 2]" 2
45 1 24 TYR H 1 24 TYR QD . . 3.790 2.525 2.286 2.798 . 0 0 "[ . 1 . 2]" 2
46 1 24 TYR HB2 1 25 ARG H . . 3.830 2.996 2.919 3.142 . 0 0 "[ . 1 . 2]" 2
47 1 25 ARG H 1 25 ARG HB2 . . 3.940 2.577 2.518 2.645 . 0 0 "[ . 1 . 2]" 2
48 1 25 ARG H 1 25 ARG HB3 . . 3.940 3.680 3.615 3.760 . 0 0 "[ . 1 . 2]" 2
49 1 25 ARG H 1 25 ARG HG3 . . 4.240 3.583 3.445 3.689 . 0 0 "[ . 1 . 2]" 2
50 1 24 TYR HB3 1 25 ARG H . . 3.330 2.439 2.357 2.536 . 0 0 "[ . 1 . 2]" 2
51 1 24 TYR QD 1 25 ARG H . . 4.520 4.292 4.198 4.359 . 0 0 "[ . 1 . 2]" 2
52 1 26 CYS H 1 31 VAL H . . 4.640 2.248 2.133 2.543 . 0 0 "[ . 1 . 2]" 2
53 1 27 PRO HG2 1 28 ALA H . . 4.210 3.578 3.536 3.622 . 0 0 "[ . 1 . 2]" 2
54 1 27 PRO HD2 1 28 ALA H . . 3.800 3.206 3.171 3.243 . 0 0 "[ . 1 . 2]" 2
55 1 28 ALA H 1 30 ARG H . . 3.340 2.700 2.628 2.772 . 0 0 "[ . 1 . 2]" 2
56 1 30 ARG H 1 30 ARG HG2 . . 5.200 3.315 2.729 4.495 . 0 0 "[ . 1 . 2]" 2
57 1 30 ARG H 1 30 ARG HG3 . . 5.200 4.038 3.123 4.446 . 0 0 "[ . 1 . 2]" 2
58 1 26 CYS HB2 1 30 ARG H . . 4.810 4.019 3.798 4.231 . 0 0 "[ . 1 . 2]" 2
59 1 26 CYS HB3 1 30 ARG H . . 3.820 2.280 2.043 2.535 . 0 0 "[ . 1 . 2]" 2
60 1 24 TYR H 1 33 TYR H . . 3.910 3.741 3.639 3.845 . 0 0 "[ . 1 . 2]" 2
61 1 33 TYR H 1 33 TYR QD . . 4.160 3.485 3.290 3.566 . 0 0 "[ . 1 . 2]" 2
62 1 32 PRO HA 1 33 TYR H . . 2.980 2.152 2.150 2.156 . 0 0 "[ . 1 . 2]" 2
63 1 25 ARG HA 1 33 TYR H . . 4.000 3.018 2.901 3.177 . 0 0 "[ . 1 . 2]" 2
64 1 24 TYR HB2 1 33 TYR H . . 5.260 4.954 4.810 5.074 . 0 0 "[ . 1 . 2]" 2
65 1 22 PRO HB3 1 33 TYR H . . 4.100 2.828 2.617 2.934 . 0 0 "[ . 1 . 2]" 2
66 1 32 PRO HB2 1 33 TYR H . . 4.130 3.664 3.573 3.747 . 0 0 "[ . 1 . 2]" 2
67 1 33 TYR H 1 33 TYR HB3 . . 4.120 3.014 2.975 3.075 . 0 0 "[ . 1 . 2]" 2
68 1 34 CYS H 1 38 CYS HB3 . . 4.190 3.908 3.844 3.980 . 0 0 "[ . 1 . 2]" 2
69 1 15 CYS HB3 1 34 CYS H . . 4.340 4.333 4.243 4.399 0.059 9 0 "[ . 1 . 2]" 2
70 1 15 CYS HB2 1 34 CYS H . . 3.950 3.154 3.019 3.261 . 0 0 "[ . 1 . 2]" 2
71 1 34 CYS H 1 34 CYS HB3 . . 3.740 2.842 2.777 2.862 . 0 0 "[ . 1 . 2]" 2
72 1 34 CYS H 1 35 SER H . . 3.490 2.988 2.768 3.082 . 0 0 "[ . 1 . 2]" 2
73 1 35 SER H 1 39 PHE H . . 4.800 4.694 4.610 4.815 0.015 11 0 "[ . 1 . 2]" 2
74 1 33 TYR QD 1 35 SER H . . 3.160 2.833 2.627 3.085 . 0 0 "[ . 1 . 2]" 2
75 1 36 VAL MG1 1 37 VAL H . . 4.090 3.069 1.848 3.811 . 0 0 "[ . 1 . 2]" 2
76 1 37 VAL H 1 37 VAL HB . . 3.040 2.654 2.571 2.740 . 0 0 "[ . 1 . 2]" 2
77 1 35 SER HB2 1 37 VAL H . . 4.190 3.480 2.573 4.211 0.021 4 0 "[ . 1 . 2]" 2
78 1 35 SER HB3 1 37 VAL H . . 4.190 3.021 2.442 4.249 0.059 9 0 "[ . 1 . 2]" 2
79 1 37 VAL MG2 1 38 CYS H . . 3.770 3.662 3.611 3.734 . 0 0 "[ . 1 . 2]" 2
80 1 38 CYS H 1 38 CYS HB2 . . 3.220 2.260 2.211 2.323 . 0 0 "[ . 1 . 2]" 2
81 1 39 PHE H 1 39 PHE HB2 . . 3.680 2.752 2.489 2.937 . 0 0 "[ . 1 . 2]" 2
82 1 38 CYS H 1 39 PHE H . . 3.330 2.737 2.605 2.833 . 0 0 "[ . 1 . 2]" 2
83 1 39 PHE H 1 40 ARG H . . 3.500 2.532 2.405 2.682 . 0 0 "[ . 1 . 2]" 2
84 1 17 ILE HG13 1 39 PHE H . . 5.500 4.756 4.578 4.990 . 0 0 "[ . 1 . 2]" 2
85 1 39 PHE H 1 40 ARG HB2 . . 5.500 4.722 4.512 4.926 . 0 0 "[ . 1 . 2]" 2
86 1 39 PHE H 1 40 ARG HG2 . . 5.500 5.321 4.950 5.513 0.013 14 0 "[ . 1 . 2]" 2
87 1 39 PHE H 1 39 PHE QD . . 4.390 4.154 4.101 4.184 . 0 0 "[ . 1 . 2]" 2
88 1 33 TYR QD 1 39 PHE H . . 4.220 3.813 3.375 3.982 . 0 0 "[ . 1 . 2]" 2
89 1 36 VAL HA 1 39 PHE H . . 3.730 3.318 3.157 3.424 . 0 0 "[ . 1 . 2]" 2
90 1 40 ARG HB2 1 41 LYS H . . 3.490 2.165 2.012 2.493 . 0 0 "[ . 1 . 2]" 2
91 1 40 ARG H 1 41 LYS H . . 4.100 2.990 2.772 3.102 . 0 0 "[ . 1 . 2]" 2
92 1 41 LYS H 1 42 HIS H . . 3.960 2.826 2.671 3.017 . 0 0 "[ . 1 . 2]" 2
93 1 42 HIS H 1 42 HIS HB2 . . 3.980 3.012 2.912 3.102 . 0 0 "[ . 1 . 2]" 2
94 1 42 HIS H 1 42 HIS HB3 . . 3.880 2.174 2.145 2.219 . 0 0 "[ . 1 . 2]" 2
95 1 42 HIS H 1 43 LYS H . . 3.880 2.738 2.512 2.907 . 0 0 "[ . 1 . 2]" 2
96 1 42 HIS HB3 1 43 LYS H . . 4.410 2.596 2.393 2.823 . 0 0 "[ . 1 . 2]" 2
97 1 43 LYS H 1 44 GLU H . . 4.320 2.970 2.840 3.050 . 0 0 "[ . 1 . 2]" 2
98 1 44 GLU H 1 44 GLU HB2 . . 3.770 2.820 2.256 3.486 . 0 0 "[ . 1 . 2]" 2
99 1 44 GLU H 1 45 GLN H . . 3.700 2.911 2.751 3.040 . 0 0 "[ . 1 . 2]" 2
100 1 45 GLN H 1 45 GLN HG2 . . 3.980 3.093 2.094 4.014 0.034 6 0 "[ . 1 . 2]" 2
101 1 45 GLN H 1 45 GLN HG3 . . 3.980 3.147 1.979 4.042 0.062 4 0 "[ . 1 . 2]" 2
102 1 43 LYS HA 1 45 GLN H . . 4.640 4.159 3.961 4.357 . 0 0 "[ . 1 . 2]" 2
103 1 45 GLN H 1 46 CYS H . . 2.830 2.416 2.239 2.614 . 0 0 "[ . 1 . 2]" 2
104 1 46 CYS H 1 46 CYS HB2 . . 3.110 2.801 2.730 2.871 . 0 0 "[ . 1 . 2]" 2
105 1 46 CYS H 1 46 CYS HB3 . . 3.110 2.304 2.259 2.400 . 0 0 "[ . 1 . 2]" 2
106 1 43 LYS HA 1 46 CYS H . . 3.640 3.015 2.863 3.448 . 0 0 "[ . 1 . 2]" 2
107 1 46 CYS HA 1 47 ASN H . . 3.500 2.166 2.141 2.216 . 0 0 "[ . 1 . 2]" 2
108 1 48 PRO HG2 1 49 GLU H . . 4.480 3.849 3.416 4.236 . 0 0 "[ . 1 . 2]" 2
109 1 48 PRO HA 1 49 GLU H . . 3.180 2.867 2.498 3.277 0.097 19 0 "[ . 1 . 2]" 2
110 1 49 GLU H 1 50 THR H . . 4.460 3.982 2.476 4.557 0.097 10 0 "[ . 1 . 2]" 2
111 1 40 ARG HA 1 42 HIS H . . 5.480 4.261 3.920 4.924 . 0 0 "[ . 1 . 2]" 2
112 1 24 TYR H 1 34 CYS HA . . 3.690 3.401 2.960 3.635 . 0 0 "[ . 1 . 2]" 2
113 1 37 VAL HB 1 38 CYS H . . 3.390 2.117 2.003 2.314 . 0 0 "[ . 1 . 2]" 2
114 1 27 PRO HD3 1 28 ALA H . . 4.210 4.138 4.119 4.159 . 0 0 "[ . 1 . 2]" 2
115 1 26 CYS H 1 33 TYR QD . . 4.930 2.990 2.616 3.223 . 0 0 "[ . 1 . 2]" 2
116 1 25 ARG H 1 33 TYR QE . . 4.600 3.584 3.260 4.028 . 0 0 "[ . 1 . 2]" 2
117 1 22 PRO HB3 1 24 TYR H . . 4.820 4.724 4.561 4.827 0.007 9 0 "[ . 1 . 2]" 2
118 1 17 ILE HG13 1 18 CYS H . . 4.570 4.545 4.400 4.612 0.042 14 0 "[ . 1 . 2]" 2
119 1 18 CYS H 1 38 CYS HB3 . . 4.640 4.406 4.247 4.540 . 0 0 "[ . 1 . 2]" 2
120 1 17 ILE H 1 38 CYS HB3 . . 4.800 4.577 4.403 4.719 . 0 0 "[ . 1 . 2]" 2
121 1 15 CYS HB3 1 17 ILE H . . 4.850 3.020 2.887 3.081 . 0 0 "[ . 1 . 2]" 2
122 1 16 VAL H 1 33 TYR HB3 . . 5.500 5.265 5.008 5.379 . 0 0 "[ . 1 . 2]" 2
123 1 15 CYS HB3 1 16 VAL H . . 4.830 4.114 4.038 4.154 . 0 0 "[ . 1 . 2]" 2
124 1 15 CYS H 1 19 LEU HA . . 4.160 3.304 2.878 3.645 . 0 0 "[ . 1 . 2]" 2
125 1 15 CYS H 1 16 VAL H . . 4.490 4.511 4.486 4.536 0.046 2 0 "[ . 1 . 2]" 2
126 1 12 THR MG 1 13 VAL H . . 4.590 3.328 1.878 4.157 . 0 0 "[ . 1 . 2]" 2
127 1 33 TYR QD 1 34 CYS H . . 4.610 3.213 2.936 3.542 . 0 0 "[ . 1 . 2]" 2
128 1 33 TYR QE 1 35 SER H . . 4.390 4.177 3.868 4.400 0.010 8 0 "[ . 1 . 2]" 2
129 1 24 TYR QD 1 35 SER H . . 5.210 5.194 5.093 5.241 0.031 8 0 "[ . 1 . 2]" 2
130 1 33 TYR HA 1 35 SER H . . 4.960 4.668 4.357 4.756 . 0 0 "[ . 1 . 2]" 2
131 1 48 PRO HD2 1 49 GLU H . . 5.500 4.425 3.077 5.504 0.004 8 0 "[ . 1 . 2]" 2
132 1 50 THR H 1 50 THR MG . . 4.750 2.875 1.996 3.978 . 0 0 "[ . 1 . 2]" 2
133 1 44 GLU HB2 1 45 GLN H . . 4.370 3.097 2.458 4.101 . 0 0 "[ . 1 . 2]" 2
134 1 38 CYS HB2 1 39 PHE H . . 3.510 2.937 2.828 3.041 . 0 0 "[ . 1 . 2]" 2
135 1 36 VAL HB 1 37 VAL H . . 3.680 3.090 2.352 3.738 0.058 20 0 "[ . 1 . 2]" 2
136 1 35 SER H 1 38 CYS HB2 . . 3.350 3.004 2.853 3.089 . 0 0 "[ . 1 . 2]" 2
137 1 24 TYR QE 1 35 SER HA . . 3.910 3.492 3.233 3.706 . 0 0 "[ . 1 . 2]" 2
138 1 12 THR HA 1 13 VAL MG1 . . 4.220 4.065 3.856 4.305 0.085 11 0 "[ . 1 . 2]" 2
139 1 12 THR HA 1 12 THR MG . . 3.390 2.763 2.157 3.206 . 0 0 "[ . 1 . 2]" 2
140 1 13 VAL HA 1 14 VAL MG2 . . 3.760 3.673 3.483 3.761 0.001 4 0 "[ . 1 . 2]" 2
141 1 13 VAL HA 1 13 VAL MG2 . . 3.020 2.277 2.049 2.453 . 0 0 "[ . 1 . 2]" 2
142 1 22 PRO HA 1 34 CYS HB3 . . 3.650 3.267 3.166 3.349 . 0 0 "[ . 1 . 2]" 2
143 1 22 PRO HA 1 34 CYS HB2 . . 4.470 4.506 4.470 4.537 0.067 19 0 "[ . 1 . 2]" 2
144 1 13 VAL HA 1 14 VAL H . . 2.820 2.295 2.221 2.411 . 0 0 "[ . 1 . 2]" 2
145 1 13 VAL H 1 13 VAL MG2 . . 3.960 3.887 3.705 4.024 0.064 13 0 "[ . 1 . 2]" 2
146 1 13 VAL MG2 1 22 PRO HG3 . . 4.810 4.391 3.878 4.775 . 0 0 "[ . 1 . 2]" 2
147 1 13 VAL MG2 1 32 PRO HG2 . . 4.300 3.231 2.942 3.577 . 0 0 "[ . 1 . 2]" 2
148 1 13 VAL MG1 1 22 PRO HG3 . . 3.820 3.081 2.854 3.272 . 0 0 "[ . 1 . 2]" 2
149 1 13 VAL MG1 1 32 PRO HG2 . . 4.040 3.907 3.475 4.056 0.016 11 0 "[ . 1 . 2]" 2
150 1 13 VAL MG1 1 32 PRO HG3 . . 3.770 2.457 1.977 2.666 . 0 0 "[ . 1 . 2]" 2
151 1 13 VAL HA 1 13 VAL MG1 . . 3.320 3.186 3.165 3.203 . 0 0 "[ . 1 . 2]" 2
152 1 13 VAL MG1 1 14 VAL H . . 3.870 3.474 3.057 3.791 . 0 0 "[ . 1 . 2]" 2
153 1 13 VAL MG1 1 32 PRO HD3 . . 4.450 2.998 2.562 3.391 . 0 0 "[ . 1 . 2]" 2
154 1 14 VAL HA 1 14 VAL MG1 . . 3.140 2.319 2.244 2.393 . 0 0 "[ . 1 . 2]" 2
155 1 14 VAL HA 1 22 PRO HG3 . . 3.810 2.706 2.351 3.067 . 0 0 "[ . 1 . 2]" 2
156 1 14 VAL HA 1 22 PRO HD3 . . 3.100 2.182 1.992 2.323 . 0 0 "[ . 1 . 2]" 2
157 1 14 VAL HA 1 15 CYS H . . 3.280 2.353 2.285 2.432 . 0 0 "[ . 1 . 2]" 2
158 1 14 VAL HB 1 19 LEU HA . . 3.250 2.597 2.398 2.789 . 0 0 "[ . 1 . 2]" 2
159 1 13 VAL HA 1 14 VAL MG1 . . 4.070 3.564 3.401 3.696 . 0 0 "[ . 1 . 2]" 2
160 1 14 VAL MG1 1 19 LEU HA . . 4.500 4.065 3.939 4.173 . 0 0 "[ . 1 . 2]" 2
161 1 14 VAL H 1 14 VAL MG1 . . 3.720 2.911 2.675 3.074 . 0 0 "[ . 1 . 2]" 2
162 1 14 VAL MG1 1 15 CYS H . . 4.180 3.684 3.558 3.789 . 0 0 "[ . 1 . 2]" 2
163 1 14 VAL MG1 1 19 LEU HB3 . . 4.350 4.047 3.727 4.324 . 0 0 "[ . 1 . 2]" 2
164 1 14 VAL MG1 1 19 LEU HB2 . . 5.480 5.258 5.113 5.515 0.035 9 0 "[ . 1 . 2]" 2
165 1 14 VAL MG1 1 22 PRO HD3 . . 4.160 3.289 2.902 3.544 . 0 0 "[ . 1 . 2]" 2
166 1 14 VAL MG2 1 19 LEU HB3 . . 3.790 2.355 2.117 2.837 . 0 0 "[ . 1 . 2]" 2
167 1 14 VAL MG2 1 19 LEU HB2 . . 4.160 3.737 3.631 3.978 . 0 0 "[ . 1 . 2]" 2
168 1 14 VAL MG2 1 19 LEU HA . . 3.260 2.140 1.975 2.445 . 0 0 "[ . 1 . 2]" 2
169 1 14 VAL MG2 1 15 CYS H . . 4.300 3.534 3.409 3.668 . 0 0 "[ . 1 . 2]" 2
170 1 14 VAL MG2 1 19 LEU H . . 4.300 4.076 3.944 4.312 0.012 15 0 "[ . 1 . 2]" 2
171 1 14 VAL MG2 1 16 VAL HA . . 4.310 4.157 4.071 4.304 . 0 0 "[ . 1 . 2]" 2
172 1 15 CYS HA 1 16 VAL MG1 . . 4.410 3.817 3.665 3.937 . 0 0 "[ . 1 . 2]" 2
173 1 15 CYS HA 1 16 VAL MG2 . . 4.690 3.767 3.655 3.916 . 0 0 "[ . 1 . 2]" 2
174 1 15 CYS HA 1 22 PRO HB3 . . 3.900 3.235 3.005 3.380 . 0 0 "[ . 1 . 2]" 2
175 1 15 CYS HA 1 32 PRO HB2 . . 3.990 2.125 1.985 2.432 . 0 0 "[ . 1 . 2]" 2
176 1 15 CYS HA 1 22 PRO HB2 . . 5.110 4.846 4.678 4.991 . 0 0 "[ . 1 . 2]" 2
177 1 15 CYS HA 1 33 TYR HB2 . . 5.500 5.315 5.180 5.421 . 0 0 "[ . 1 . 2]" 2
178 1 15 CYS HA 1 33 TYR HB3 . . 5.500 5.072 4.893 5.164 . 0 0 "[ . 1 . 2]" 2
179 1 15 CYS HA 1 16 VAL H . . 3.010 2.146 2.141 2.153 . 0 0 "[ . 1 . 2]" 2
180 1 15 CYS HA 1 34 CYS H . . 4.530 4.435 4.349 4.494 . 0 0 "[ . 1 . 2]" 2
181 1 15 CYS HB2 1 22 PRO HA . . 4.300 3.634 3.399 3.762 . 0 0 "[ . 1 . 2]" 2
182 1 15 CYS HB2 1 22 PRO HB3 . . 4.410 3.337 3.172 3.531 . 0 0 "[ . 1 . 2]" 2
183 1 15 CYS HB2 1 18 CYS H . . 4.700 3.997 3.894 4.065 . 0 0 "[ . 1 . 2]" 2
184 1 15 CYS H 1 15 CYS HB2 . . 3.470 2.307 2.268 2.334 . 0 0 "[ . 1 . 2]" 2
185 1 15 CYS HB3 1 20 GLU H . . 3.490 1.869 1.849 1.891 . 0 0 "[ . 1 . 2]" 2
186 1 15 CYS H 1 15 CYS HB3 . . 3.390 2.843 2.746 2.908 . 0 0 "[ . 1 . 2]" 2
187 1 15 CYS HB3 1 19 LEU HA . . 4.280 2.926 2.793 3.164 . 0 0 "[ . 1 . 2]" 2
188 1 15 CYS HB3 1 20 GLU HB2 . . 4.380 3.810 3.658 3.889 . 0 0 "[ . 1 . 2]" 2
189 1 14 VAL HB 1 15 CYS HB3 . . 4.620 4.189 4.076 4.264 . 0 0 "[ . 1 . 2]" 2
190 1 15 CYS HB2 1 20 GLU HB2 . . 4.600 3.733 3.550 3.920 . 0 0 "[ . 1 . 2]" 2
191 1 16 VAL HA 1 16 VAL MG1 . . 2.890 2.275 2.176 2.404 . 0 0 "[ . 1 . 2]" 2
192 1 16 VAL HB 1 17 ILE MD . . 3.910 3.717 3.447 3.901 . 0 0 "[ . 1 . 2]" 2
193 1 16 VAL MG2 1 17 ILE HA . . 4.230 3.901 3.638 4.107 . 0 0 "[ . 1 . 2]" 2
194 1 17 ILE HA 1 17 ILE HG12 . . 4.010 3.125 3.036 3.249 . 0 0 "[ . 1 . 2]" 2
195 1 17 ILE HB 1 38 CYS HB3 . . 3.570 2.636 2.476 2.822 . 0 0 "[ . 1 . 2]" 2
196 1 17 ILE H 1 17 ILE HB . . 3.470 2.737 2.677 2.840 . 0 0 "[ . 1 . 2]" 2
197 1 17 ILE HB 1 38 CYS HB2 . . 4.180 3.957 3.838 4.089 . 0 0 "[ . 1 . 2]" 2
198 1 17 ILE H 1 17 ILE HG13 . . 4.110 4.034 3.929 4.115 0.005 8 0 "[ . 1 . 2]" 2
199 1 17 ILE HG12 1 38 CYS HA . . 4.940 4.719 4.226 4.915 . 0 0 "[ . 1 . 2]" 2
200 1 17 ILE MD 1 17 ILE MG . . 2.990 1.930 1.865 2.000 . 0 0 "[ . 1 . 2]" 2
201 1 17 ILE HG12 1 17 ILE MG . . 3.550 3.192 3.177 3.201 . 0 0 "[ . 1 . 2]" 2
202 1 17 ILE HG13 1 17 ILE MG . . 2.990 2.370 2.309 2.488 . 0 0 "[ . 1 . 2]" 2
203 1 17 ILE MG 1 18 CYS HB3 . . 3.770 3.420 3.217 3.611 . 0 0 "[ . 1 . 2]" 2
204 1 17 ILE MG 1 38 CYS HB3 . . 4.030 3.214 2.997 3.483 . 0 0 "[ . 1 . 2]" 2
205 1 17 ILE HA 1 17 ILE MG . . 3.210 2.274 2.151 2.387 . 0 0 "[ . 1 . 2]" 2
206 1 17 ILE MG 1 18 CYS H . . 3.780 3.339 3.151 3.462 . 0 0 "[ . 1 . 2]" 2
207 1 17 ILE H 1 17 ILE MG . . 3.940 3.892 3.868 3.935 . 0 0 "[ . 1 . 2]" 2
208 1 17 ILE MG 1 18 CYS HA . . 4.100 3.817 3.621 3.980 . 0 0 "[ . 1 . 2]" 2
209 1 17 ILE MG 1 18 CYS HB2 . . 4.930 4.825 4.635 4.979 0.049 9 0 "[ . 1 . 2]" 2
210 1 17 ILE HA 1 17 ILE MD . . 2.950 2.224 2.081 2.387 . 0 0 "[ . 1 . 2]" 2
211 1 17 ILE MD 1 42 HIS HB2 . . 3.590 2.559 2.007 3.011 . 0 0 "[ . 1 . 2]" 2
212 1 17 ILE MD 1 42 HIS HB3 . . 4.390 3.507 3.094 3.809 . 0 0 "[ . 1 . 2]" 2
213 1 17 ILE H 1 17 ILE MD . . 3.860 3.594 3.372 3.758 . 0 0 "[ . 1 . 2]" 2
214 1 17 ILE MD 1 42 HIS H . . 4.300 3.522 3.181 3.792 . 0 0 "[ . 1 . 2]" 2
215 1 18 CYS H 1 18 CYS HB2 . . 4.000 3.730 3.710 3.750 . 0 0 "[ . 1 . 2]" 2
216 1 14 VAL MG2 1 19 LEU HG . . 4.390 3.350 1.957 4.292 . 0 0 "[ . 1 . 2]" 2
217 1 19 LEU HA 1 19 LEU HG . . 4.110 2.815 2.317 3.208 . 0 0 "[ . 1 . 2]" 2
218 1 19 LEU H 1 19 LEU HG . . 4.050 3.152 2.790 3.754 . 0 0 "[ . 1 . 2]" 2
219 1 19 LEU HB3 1 19 LEU MD1 . . 3.260 2.807 2.379 3.176 . 0 0 "[ . 1 . 2]" 2
220 1 19 LEU HB2 1 19 LEU MD1 . . 3.610 2.193 2.071 2.328 . 0 0 "[ . 1 . 2]" 2
221 1 19 LEU HA 1 19 LEU MD1 . . 4.200 3.576 2.878 3.986 . 0 0 "[ . 1 . 2]" 2
222 1 19 LEU HB3 1 19 LEU MD2 . . 3.260 2.170 2.024 2.327 . 0 0 "[ . 1 . 2]" 2
223 1 19 LEU HB2 1 19 LEU MD2 . . 3.610 2.886 2.378 3.182 . 0 0 "[ . 1 . 2]" 2
224 1 19 LEU HA 1 19 LEU MD2 . . 4.200 2.964 2.095 3.765 . 0 0 "[ . 1 . 2]" 2
225 1 19 LEU H 1 19 LEU MD2 . . 4.650 3.856 3.095 4.665 0.015 9 0 "[ . 1 . 2]" 2
226 1 20 GLU HA 1 20 GLU HG2 . . 3.980 2.484 2.357 2.691 . 0 0 "[ . 1 . 2]" 2
227 1 20 GLU HA 1 20 GLU HG3 . . 3.980 3.448 3.220 3.775 . 0 0 "[ . 1 . 2]" 2
228 1 15 CYS HB3 1 20 GLU HB3 . . 5.500 5.310 5.186 5.372 . 0 0 "[ . 1 . 2]" 2
229 1 20 GLU HB3 1 34 CYS HB2 . . 5.500 5.463 5.296 5.526 0.026 17 0 "[ . 1 . 2]" 2
230 1 20 GLU HB2 1 21 LYS H . . 3.660 3.695 3.419 3.765 0.105 17 0 "[ . 1 . 2]" 2
231 1 18 CYS HB2 1 20 GLU HB2 . . 5.500 4.317 4.003 4.502 . 0 0 "[ . 1 . 2]" 2
232 1 18 CYS HB2 1 20 GLU HG2 . . 4.840 4.093 3.184 4.515 . 0 0 "[ . 1 . 2]" 2
233 1 20 GLU H 1 20 GLU HG2 . . 3.960 3.640 3.033 3.959 . 0 0 "[ . 1 . 2]" 2
234 1 18 CYS HB2 1 20 GLU HG3 . . 4.840 2.874 2.680 3.120 . 0 0 "[ . 1 . 2]" 2
235 1 20 GLU H 1 20 GLU HG3 . . 3.960 3.452 3.084 4.012 0.052 19 0 "[ . 1 . 2]" 2
236 1 21 LYS HA 1 22 PRO HD3 . . 2.970 2.489 2.422 2.539 . 0 0 "[ . 1 . 2]" 2
237 1 14 VAL MG1 1 21 LYS HA . . 4.300 3.620 3.204 3.942 . 0 0 "[ . 1 . 2]" 2
238 1 15 CYS H 1 21 LYS HA . . 4.690 4.471 4.131 4.677 . 0 0 "[ . 1 . 2]" 2
239 1 21 LYS HB3 1 22 PRO HD3 . . 5.430 4.938 4.724 5.145 . 0 0 "[ . 1 . 2]" 2
240 1 21 LYS H 1 21 LYS HB3 . . 3.630 3.104 2.337 3.598 . 0 0 "[ . 1 . 2]" 2
241 1 21 LYS HG2 1 22 PRO HD2 . . 4.460 3.854 3.472 4.232 . 0 0 "[ . 1 . 2]" 2
242 1 21 LYS HA 1 21 LYS HG2 . . 4.120 2.932 2.469 3.420 . 0 0 "[ . 1 . 2]" 2
243 1 21 LYS H 1 21 LYS HG2 . . 4.620 4.166 3.710 4.632 0.012 3 0 "[ . 1 . 2]" 2
244 1 21 LYS HG3 1 22 PRO HD2 . . 4.460 3.750 2.921 4.461 0.001 14 0 "[ . 1 . 2]" 2
245 1 21 LYS HA 1 21 LYS HG3 . . 4.120 2.585 2.154 2.996 . 0 0 "[ . 1 . 2]" 2
246 1 21 LYS HA 1 21 LYS HD2 . . 5.500 4.465 4.142 4.774 . 0 0 "[ . 1 . 2]" 2
247 1 21 LYS HA 1 21 LYS HD3 . . 5.500 4.592 4.098 5.024 . 0 0 "[ . 1 . 2]" 2
248 1 21 LYS H 1 21 LYS HD2 . . 5.500 4.581 3.434 5.494 . 0 0 "[ . 1 . 2]" 2
249 1 21 LYS H 1 21 LYS HD3 . . 5.500 4.655 3.547 5.650 0.150 9 0 "[ . 1 . 2]" 2
250 1 22 PRO HA 1 34 CYS HA . . 3.140 2.429 2.287 2.701 . 0 0 "[ . 1 . 2]" 2
251 1 13 VAL MG1 1 22 PRO HB2 . . 4.890 4.739 4.478 4.922 0.032 11 0 "[ . 1 . 2]" 2
252 1 22 PRO HB2 1 33 TYR H . . 4.210 2.747 2.546 2.900 . 0 0 "[ . 1 . 2]" 2
253 1 22 PRO HB3 1 32 PRO HB2 . . 3.930 2.371 2.028 2.542 . 0 0 "[ . 1 . 2]" 2
254 1 15 CYS H 1 22 PRO HB3 . . 4.750 3.297 3.054 3.643 . 0 0 "[ . 1 . 2]" 2
255 1 22 PRO HB3 1 25 ARG HA . . 5.500 5.547 5.338 5.597 0.097 6 0 "[ . 1 . 2]" 2
256 1 21 LYS HA 1 22 PRO HG2 . . 5.110 4.118 4.115 4.129 . 0 0 "[ . 1 . 2]" 2
257 1 21 LYS HA 1 22 PRO HG3 . . 4.510 4.377 4.346 4.402 . 0 0 "[ . 1 . 2]" 2
258 1 14 VAL HB 1 22 PRO HD3 . . 3.920 3.488 3.078 3.797 . 0 0 "[ . 1 . 2]" 2
259 1 15 CYS H 1 22 PRO HD3 . . 4.060 2.389 2.190 2.637 . 0 0 "[ . 1 . 2]" 2
260 1 23 LYS HA 1 23 LYS HD2 . . 5.360 4.297 3.383 4.850 . 0 0 "[ . 1 . 2]" 2
261 1 23 LYS HA 1 23 LYS HD3 . . 5.360 4.292 2.046 4.728 . 0 0 "[ . 1 . 2]" 2
262 1 14 VAL MG1 1 22 PRO HD2 . . 4.520 3.707 3.284 4.001 . 0 0 "[ . 1 . 2]" 2
263 1 13 VAL MG1 1 22 PRO HD2 . . 5.080 4.770 4.402 5.101 0.021 13 0 "[ . 1 . 2]" 2
264 1 21 LYS HA 1 22 PRO HD2 . . 3.030 1.915 1.912 1.923 . 0 0 "[ . 1 . 2]" 2
265 1 14 VAL HA 1 22 PRO HD2 . . 3.470 3.298 3.067 3.451 . 0 0 "[ . 1 . 2]" 2
266 1 15 CYS H 1 22 PRO HD2 . . 4.410 4.155 3.958 4.397 . 0 0 "[ . 1 . 2]" 2
267 1 23 LYS HA 1 23 LYS HG2 . . 3.770 2.726 2.281 3.820 0.050 9 0 "[ . 1 . 2]" 2
268 1 23 LYS HA 1 23 LYS HG3 . . 3.770 2.861 2.312 3.271 . 0 0 "[ . 1 . 2]" 2
269 1 23 LYS HB2 1 24 TYR QE . . 5.250 2.678 2.236 4.007 . 0 0 "[ . 1 . 2]" 2
270 1 23 LYS HB3 1 24 TYR QE . . 5.250 2.974 2.722 3.226 . 0 0 "[ . 1 . 2]" 2
271 1 25 ARG HA 1 25 ARG HG2 . . 3.490 2.418 2.335 2.547 . 0 0 "[ . 1 . 2]" 2
272 1 25 ARG HA 1 26 CYS H . . 3.300 2.368 2.231 2.404 . 0 0 "[ . 1 . 2]" 2
273 1 25 ARG HA 1 25 ARG HG3 . . 4.100 2.839 2.615 3.056 . 0 0 "[ . 1 . 2]" 2
274 1 24 TYR HA 1 25 ARG HA . . 4.900 4.472 4.447 4.490 . 0 0 "[ . 1 . 2]" 2
275 1 25 ARG HA 1 26 CYS HA . . 5.210 4.308 4.303 4.314 . 0 0 "[ . 1 . 2]" 2
276 1 25 ARG HB2 1 26 CYS H . . 4.750 3.905 3.780 4.115 . 0 0 "[ . 1 . 2]" 2
277 1 25 ARG HB3 1 26 CYS H . . 4.750 2.569 2.445 2.937 . 0 0 "[ . 1 . 2]" 2
278 1 25 ARG HG3 1 32 PRO HB3 . . 4.650 4.439 4.012 4.657 0.007 3 0 "[ . 1 . 2]" 2
279 1 25 ARG HA 1 25 ARG HD2 . . 5.100 4.414 4.237 4.777 . 0 0 "[ . 1 . 2]" 2
280 1 25 ARG HA 1 25 ARG HD3 . . 5.100 4.558 4.301 4.736 . 0 0 "[ . 1 . 2]" 2
281 1 25 ARG HD2 1 32 PRO HA . . 5.320 4.556 3.911 4.785 . 0 0 "[ . 1 . 2]" 2
282 1 25 ARG HD3 1 32 PRO HA . . 5.320 4.040 3.515 4.779 . 0 0 "[ . 1 . 2]" 2
283 1 26 CYS H 1 26 CYS HB3 . . 3.520 2.529 2.427 2.669 . 0 0 "[ . 1 . 2]" 2
284 1 26 CYS HB3 1 31 VAL H . . 3.220 1.892 1.850 1.964 . 0 0 "[ . 1 . 2]" 2
285 1 26 CYS HB3 1 31 VAL MG2 . . 4.370 2.126 1.959 2.495 . 0 0 "[ . 1 . 2]" 2
286 1 26 CYS HB3 1 31 VAL MG1 . . 4.370 3.615 3.505 3.796 . 0 0 "[ . 1 . 2]" 2
287 1 26 CYS HB3 1 30 ARG HA . . 4.350 3.263 3.047 3.457 . 0 0 "[ . 1 . 2]" 2
288 1 26 CYS HB3 1 28 ALA H . . 4.740 3.160 3.097 3.325 . 0 0 "[ . 1 . 2]" 2
289 1 26 CYS HB2 1 31 VAL MG2 . . 4.640 2.024 1.899 2.264 . 0 0 "[ . 1 . 2]" 2
290 1 26 CYS HB2 1 31 VAL MG1 . . 4.640 4.208 3.970 4.470 . 0 0 "[ . 1 . 2]" 2
291 1 26 CYS HB2 1 31 VAL H . . 3.800 2.944 2.728 3.195 . 0 0 "[ . 1 . 2]" 2
292 1 26 CYS H 1 26 CYS HB2 . . 3.780 2.555 2.403 2.679 . 0 0 "[ . 1 . 2]" 2
293 1 27 PRO HD2 1 33 TYR QE . . 4.700 4.477 4.202 4.746 0.046 11 0 "[ . 1 . 2]" 2
294 1 28 ALA MB 1 29 CYS H . . 3.230 2.115 1.861 2.270 . 0 0 "[ . 1 . 2]" 2
295 1 28 ALA H 1 28 ALA MB . . 3.050 2.386 2.302 2.492 . 0 0 "[ . 1 . 2]" 2
296 1 27 PRO HG2 1 28 ALA MB . . 4.170 3.660 3.538 3.732 . 0 0 "[ . 1 . 2]" 2
297 1 28 ALA MB 1 29 CYS HB3 . . 4.260 3.665 3.487 3.813 . 0 0 "[ . 1 . 2]" 2
298 1 29 CYS H 1 29 CYS HB3 . . 4.080 2.932 2.796 3.108 . 0 0 "[ . 1 . 2]" 2
299 1 26 CYS H 1 30 ARG HA . . 4.560 3.134 2.856 3.497 . 0 0 "[ . 1 . 2]" 2
300 1 30 ARG HA 1 30 ARG HG3 . . 4.050 3.446 2.471 3.902 . 0 0 "[ . 1 . 2]" 2
301 1 30 ARG HA 1 30 ARG HD2 . . 4.290 2.898 2.199 3.635 . 0 0 "[ . 1 . 2]" 2
302 1 30 ARG HA 1 30 ARG HG2 . . 4.050 3.210 2.839 3.721 . 0 0 "[ . 1 . 2]" 2
303 1 30 ARG HB3 1 30 ARG HD2 . . 4.200 2.832 2.141 3.937 . 0 0 "[ . 1 . 2]" 2
304 1 30 ARG H 1 30 ARG HD2 . . 4.670 3.637 2.323 4.660 . 0 0 "[ . 1 . 2]" 2
305 1 30 ARG HB3 1 30 ARG HD3 . . 4.200 3.411 3.002 3.669 . 0 0 "[ . 1 . 2]" 2
306 1 30 ARG HA 1 30 ARG HD3 . . 4.290 3.371 2.424 4.227 . 0 0 "[ . 1 . 2]" 2
307 1 30 ARG H 1 30 ARG HD3 . . 4.670 3.695 3.121 4.541 . 0 0 "[ . 1 . 2]" 2
308 1 31 VAL HB 1 32 PRO HD3 . . 3.930 3.587 3.446 3.722 . 0 0 "[ . 1 . 2]" 2
309 1 31 VAL H 1 31 VAL HB . . 3.940 3.671 3.635 3.697 . 0 0 "[ . 1 . 2]" 2
310 1 31 VAL H 1 31 VAL MG1 . . 4.030 2.758 2.566 2.988 . 0 0 "[ . 1 . 2]" 2
311 1 31 VAL MG1 1 32 PRO HD2 . . 4.710 2.987 2.868 3.075 . 0 0 "[ . 1 . 2]" 2
312 1 31 VAL H 1 31 VAL MG2 . . 4.030 1.912 1.796 2.122 . 0 0 "[ . 1 . 2]" 2
313 1 25 ARG HG2 1 32 PRO HA . . 3.830 2.222 1.990 2.505 . 0 0 "[ . 1 . 2]" 2
314 1 25 ARG HA 1 32 PRO HA . . 3.340 3.262 3.149 3.332 . 0 0 "[ . 1 . 2]" 2
315 1 13 VAL MG1 1 32 PRO HB3 . . 3.990 2.283 1.957 2.550 . 0 0 "[ . 1 . 2]" 2
316 1 22 PRO HB3 1 32 PRO HB3 . . 4.130 3.211 2.765 3.405 . 0 0 "[ . 1 . 2]" 2
317 1 25 ARG HG2 1 32 PRO HB3 . . 4.730 3.794 3.628 4.032 . 0 0 "[ . 1 . 2]" 2
318 1 32 PRO HB3 1 33 TYR H . . 4.270 4.091 4.029 4.149 . 0 0 "[ . 1 . 2]" 2
319 1 13 VAL MG1 1 32 PRO HB2 . . 4.320 3.492 3.067 3.690 . 0 0 "[ . 1 . 2]" 2
320 1 13 VAL MG2 1 32 PRO HB2 . . 4.880 3.780 3.539 4.164 . 0 0 "[ . 1 . 2]" 2
321 1 22 PRO HD3 1 32 PRO HB2 . . 4.790 3.828 3.513 4.093 . 0 0 "[ . 1 . 2]" 2
322 1 13 VAL MG2 1 32 PRO HG3 . . 4.320 1.908 1.768 2.069 . 0 0 "[ . 1 . 2]" 2
323 1 16 VAL MG1 1 32 PRO HG3 . . 4.310 2.854 2.658 3.093 . 0 0 "[ . 1 . 2]" 2
324 1 13 VAL HA 1 32 PRO HG3 . . 5.450 4.861 4.577 5.209 . 0 0 "[ . 1 . 2]" 2
325 1 31 VAL HA 1 32 PRO HG3 . . 4.520 4.427 4.394 4.473 . 0 0 "[ . 1 . 2]" 2
326 1 22 PRO HB3 1 32 PRO HG2 . . 5.010 4.593 4.262 4.775 . 0 0 "[ . 1 . 2]" 2
327 1 31 VAL HA 1 32 PRO HG2 . . 4.550 4.448 4.397 4.515 . 0 0 "[ . 1 . 2]" 2
328 1 16 VAL MG1 1 32 PRO HD3 . . 3.780 3.485 3.313 3.757 . 0 0 "[ . 1 . 2]" 2
329 1 31 VAL HA 1 32 PRO HD3 . . 2.940 2.275 2.260 2.300 . 0 0 "[ . 1 . 2]" 2
330 1 31 VAL MG2 1 32 PRO HD2 . . 4.710 3.743 3.641 3.876 . 0 0 "[ . 1 . 2]" 2
331 1 16 VAL MG1 1 32 PRO HD2 . . 3.590 2.242 1.977 2.581 . 0 0 "[ . 1 . 2]" 2
332 1 31 VAL HB 1 32 PRO HD2 . . 3.260 2.158 1.994 2.318 . 0 0 "[ . 1 . 2]" 2
333 1 31 VAL HA 1 32 PRO HD2 . . 3.260 2.320 2.256 2.401 . 0 0 "[ . 1 . 2]" 2
334 1 33 TYR HA 1 34 CYS H . . 3.320 2.147 2.138 2.172 . 0 0 "[ . 1 . 2]" 2
335 1 15 CYS HB2 1 33 TYR HA . . 4.160 3.449 3.343 3.651 . 0 0 "[ . 1 . 2]" 2
336 1 15 CYS HA 1 33 TYR HA . . 3.350 3.272 3.130 3.374 0.024 13 0 "[ . 1 . 2]" 2
337 1 15 CYS HB3 1 33 TYR HA . . 4.580 4.487 4.427 4.580 . 0 0 "[ . 1 . 2]" 2
338 1 22 PRO HB3 1 33 TYR HA . . 4.640 3.753 3.432 3.893 . 0 0 "[ . 1 . 2]" 2
339 1 33 TYR HB2 1 34 CYS H . . 3.670 3.447 3.273 3.557 . 0 0 "[ . 1 . 2]" 2
340 1 24 TYR H 1 33 TYR QE . . 4.390 4.348 4.149 4.427 0.037 8 0 "[ . 1 . 2]" 2
341 1 24 TYR QD 1 33 TYR QE . . 3.960 2.683 2.504 3.106 . 0 0 "[ . 1 . 2]" 2
342 1 24 TYR HB3 1 33 TYR QE . . 4.220 3.668 3.387 3.902 . 0 0 "[ . 1 . 2]" 2
343 1 24 TYR HB2 1 33 TYR QE . . 4.200 2.725 2.522 2.838 . 0 0 "[ . 1 . 2]" 2
344 1 27 PRO HD3 1 33 TYR QE . . 4.120 3.636 3.304 3.907 . 0 0 "[ . 1 . 2]" 2
345 1 34 CYS H 1 34 CYS HB2 . . 3.970 3.548 3.542 3.574 . 0 0 "[ . 1 . 2]" 2
346 1 24 TYR QD 1 35 SER HA . . 4.010 3.650 3.522 3.800 . 0 0 "[ . 1 . 2]" 2
347 1 36 VAL HA 1 36 VAL MG1 . . 3.580 2.621 2.300 3.187 . 0 0 "[ . 1 . 2]" 2
348 1 36 VAL HA 1 39 PHE HB2 . . 3.860 3.288 2.969 3.584 . 0 0 "[ . 1 . 2]" 2
349 1 36 VAL HA 1 36 VAL MG2 . . 3.580 2.443 2.098 3.202 . 0 0 "[ . 1 . 2]" 2
350 1 36 VAL MG2 1 37 VAL H . . 4.090 3.537 1.804 4.010 . 0 0 "[ . 1 . 2]" 2
351 1 37 VAL HA 1 37 VAL MG2 . . 3.250 2.344 2.267 2.425 . 0 0 "[ . 1 . 2]" 2
352 1 37 VAL HA 1 40 ARG HB2 . . 3.590 3.133 2.881 3.375 . 0 0 "[ . 1 . 2]" 2
353 1 37 VAL HA 1 40 ARG H . . 4.390 3.464 3.294 3.613 . 0 0 "[ . 1 . 2]" 2
354 1 37 VAL H 1 37 VAL MG1 . . 3.920 3.774 3.764 3.784 . 0 0 "[ . 1 . 2]" 2
355 1 37 VAL HA 1 37 VAL MG1 . . 3.080 2.384 2.308 2.465 . 0 0 "[ . 1 . 2]" 2
356 1 37 VAL H 1 37 VAL MG2 . . 3.880 2.018 1.874 2.171 . 0 0 "[ . 1 . 2]" 2
357 1 17 ILE MG 1 38 CYS HA . . 3.520 2.497 2.184 2.875 . 0 0 "[ . 1 . 2]" 2
358 1 17 ILE HG13 1 38 CYS HA . . 3.280 3.080 2.524 3.296 0.016 11 0 "[ . 1 . 2]" 2
359 1 17 ILE HB 1 38 CYS HA . . 4.260 3.768 3.548 3.873 . 0 0 "[ . 1 . 2]" 2
360 1 38 CYS HA 1 41 LYS H . . 4.130 3.990 3.610 4.183 0.053 9 0 "[ . 1 . 2]" 2
361 1 17 ILE HG12 1 38 CYS HB3 . . 4.070 3.142 2.833 3.247 . 0 0 "[ . 1 . 2]" 2
362 1 17 ILE HG13 1 38 CYS HB3 . . 3.950 2.221 2.021 2.445 . 0 0 "[ . 1 . 2]" 2
363 1 35 SER H 1 38 CYS HB3 . . 4.650 4.605 4.453 4.703 0.053 10 0 "[ . 1 . 2]" 2
364 1 38 CYS H 1 38 CYS HB3 . . 3.870 3.535 3.511 3.559 . 0 0 "[ . 1 . 2]" 2
365 1 38 CYS HB3 1 39 PHE H . . 4.370 3.516 3.356 3.775 . 0 0 "[ . 1 . 2]" 2
366 1 17 ILE HG12 1 38 CYS HB2 . . 4.930 4.872 4.583 4.964 0.034 2 0 "[ . 1 . 2]" 2
367 1 17 ILE HG13 1 38 CYS HB2 . . 4.340 3.920 3.649 4.124 . 0 0 "[ . 1 . 2]" 2
368 1 34 CYS H 1 38 CYS HB2 . . 4.480 3.371 3.207 3.493 . 0 0 "[ . 1 . 2]" 2
369 1 39 PHE HA 1 42 HIS HB3 . . 3.840 2.458 2.318 2.743 . 0 0 "[ . 1 . 2]" 2
370 1 39 PHE HA 1 39 PHE QD . . 3.620 2.477 2.265 3.170 . 0 0 "[ . 1 . 2]" 2
371 1 39 PHE HA 1 43 LYS H . . 4.920 3.862 3.697 4.064 . 0 0 "[ . 1 . 2]" 2
372 1 33 TYR QE 1 39 PHE HB2 . . 4.440 3.802 3.594 3.931 . 0 0 "[ . 1 . 2]" 2
373 1 39 PHE HB2 1 40 ARG H . . 4.240 4.079 3.839 4.204 . 0 0 "[ . 1 . 2]" 2
374 1 36 VAL HA 1 39 PHE HB3 . . 3.860 2.213 2.020 2.390 . 0 0 "[ . 1 . 2]" 2
375 1 33 TYR QE 1 39 PHE HB3 . . 4.440 4.396 4.200 4.453 0.013 8 0 "[ . 1 . 2]" 2
376 1 39 PHE HB3 1 40 ARG H . . 4.240 2.838 2.570 3.005 . 0 0 "[ . 1 . 2]" 2
377 1 39 PHE H 1 39 PHE HB3 . . 3.680 2.358 2.238 2.574 . 0 0 "[ . 1 . 2]" 2
378 1 26 CYS HB2 1 39 PHE QD . . 4.050 3.271 2.881 3.682 . 0 0 "[ . 1 . 2]" 2
379 1 26 CYS HB2 1 39 PHE QE . . 4.030 3.122 2.417 3.947 . 0 0 "[ . 1 . 2]" 2
380 1 39 PHE HA 1 39 PHE QE . . 4.660 4.610 4.492 4.721 0.061 8 0 "[ . 1 . 2]" 2
381 1 40 ARG HA 1 43 LYS HB3 . . 4.000 3.204 2.750 3.999 . 0 0 "[ . 1 . 2]" 2
382 1 40 ARG HA 1 40 ARG HG2 . . 3.350 2.417 2.274 2.564 . 0 0 "[ . 1 . 2]" 2
383 1 40 ARG HA 1 40 ARG HD2 . . 5.460 4.562 3.926 4.855 . 0 0 "[ . 1 . 2]" 2
384 1 40 ARG HA 1 40 ARG HD3 . . 5.460 4.444 3.809 4.758 . 0 0 "[ . 1 . 2]" 2
385 1 40 ARG H 1 40 ARG HB2 . . 3.530 2.505 2.371 2.660 . 0 0 "[ . 1 . 2]" 2
386 1 40 ARG HA 1 40 ARG HG3 . . 3.810 3.269 3.149 3.473 . 0 0 "[ . 1 . 2]" 2
387 1 40 ARG H 1 40 ARG HG3 . . 4.360 2.307 2.026 2.599 . 0 0 "[ . 1 . 2]" 2
388 1 40 ARG H 1 40 ARG HG2 . . 3.790 3.132 2.842 3.300 . 0 0 "[ . 1 . 2]" 2
389 1 41 LYS HA 1 44 GLU H . . 4.620 3.935 3.619 4.126 . 0 0 "[ . 1 . 2]" 2
390 1 41 LYS H 1 41 LYS HB2 . . 3.380 2.587 2.243 2.669 . 0 0 "[ . 1 . 2]" 2
391 1 41 LYS HB2 1 42 HIS H . . 3.870 2.717 2.199 2.983 . 0 0 "[ . 1 . 2]" 2
392 1 17 ILE MD 1 41 LYS HB2 . . 3.710 3.193 2.934 3.452 . 0 0 "[ . 1 . 2]" 2
393 1 17 ILE MG 1 41 LYS HB2 . . 3.750 3.291 2.902 3.744 . 0 0 "[ . 1 . 2]" 2
394 1 41 LYS H 1 41 LYS HG2 . . 4.210 3.454 3.215 4.051 . 0 0 "[ . 1 . 2]" 2
395 1 41 LYS H 1 41 LYS HG3 . . 4.210 2.128 1.895 3.659 . 0 0 "[ . 1 . 2]" 2
396 1 41 LYS H 1 41 LYS HD2 . . 5.340 3.582 1.892 4.272 . 0 0 "[ . 1 . 2]" 2
397 1 41 LYS H 1 41 LYS HD3 . . 5.340 3.962 2.776 4.596 . 0 0 "[ . 1 . 2]" 2
398 1 39 PHE QE 1 42 HIS HD2 . . 4.330 2.408 2.082 3.184 . 0 0 "[ . 1 . 2]" 2
399 1 31 VAL MG2 1 42 HIS HE1 . . 4.450 2.898 2.632 3.195 . 0 0 "[ . 1 . 2]" 2
400 1 31 VAL MG1 1 42 HIS HE1 . . 4.450 2.829 2.278 3.445 . 0 0 "[ . 1 . 2]" 2
401 1 43 LYS HB3 1 44 GLU H . . 4.620 2.664 2.396 3.400 . 0 0 "[ . 1 . 2]" 2
402 1 43 LYS H 1 43 LYS HB3 . . 3.850 2.814 2.550 3.534 . 0 0 "[ . 1 . 2]" 2
403 1 43 LYS H 1 43 LYS HB2 . . 3.790 2.361 2.153 2.561 . 0 0 "[ . 1 . 2]" 2
404 1 43 LYS HA 1 43 LYS HD2 . . 4.370 2.912 1.984 4.057 . 0 0 "[ . 1 . 2]" 2
405 1 43 LYS HA 1 43 LYS HD3 . . 4.370 3.472 2.356 4.402 0.032 17 0 "[ . 1 . 2]" 2
406 1 44 GLU HA 1 44 GLU HG3 . . 3.940 3.293 2.356 3.766 . 0 0 "[ . 1 . 2]" 2
407 1 44 GLU HA 1 44 GLU HG2 . . 3.940 3.053 2.267 3.851 . 0 0 "[ . 1 . 2]" 2
408 1 44 GLU H 1 44 GLU HB3 . . 3.770 3.089 2.141 3.615 . 0 0 "[ . 1 . 2]" 2
409 1 44 GLU HB3 1 45 GLN H . . 4.370 3.452 3.092 3.646 . 0 0 "[ . 1 . 2]" 2
410 1 44 GLU H 1 44 GLU HG2 . . 4.010 3.056 2.000 4.013 0.003 8 0 "[ . 1 . 2]" 2
411 1 44 GLU H 1 44 GLU HG3 . . 4.010 3.236 2.137 4.041 0.031 6 0 "[ . 1 . 2]" 2
412 1 45 GLN HB2 1 46 CYS H . . 4.610 4.327 3.895 4.523 . 0 0 "[ . 1 . 2]" 2
413 1 45 GLN HB3 1 46 CYS H . . 4.610 4.499 4.334 4.580 . 0 0 "[ . 1 . 2]" 2
414 1 45 GLN HA 1 45 GLN HG2 . . 4.250 3.359 2.199 4.231 . 0 0 "[ . 1 . 2]" 2
415 1 45 GLN HA 1 45 GLN HG3 . . 4.250 3.629 3.202 4.213 . 0 0 "[ . 1 . 2]" 2
416 1 45 GLN HG2 1 46 CYS H . . 5.500 4.571 3.683 5.334 . 0 0 "[ . 1 . 2]" 2
417 1 45 GLN HG3 1 46 CYS H . . 5.500 4.560 3.696 5.552 0.052 12 0 "[ . 1 . 2]" 2
418 1 42 HIS HE1 1 46 CYS HA . . 4.310 2.531 2.105 3.024 . 0 0 "[ . 1 . 2]" 2
419 1 43 LYS HA 1 46 CYS HB2 . . 3.600 2.008 1.955 2.250 . 0 0 "[ . 1 . 2]" 2
420 1 39 PHE QE 1 46 CYS HB2 . . 5.180 4.032 3.472 4.467 . 0 0 "[ . 1 . 2]" 2
421 1 45 GLN H 1 46 CYS HB2 . . 5.440 4.462 4.348 4.642 . 0 0 "[ . 1 . 2]" 2
422 1 42 HIS HE1 1 46 CYS HB2 . . 5.060 3.245 2.897 3.674 . 0 0 "[ . 1 . 2]" 2
423 1 43 LYS HA 1 46 CYS HB3 . . 3.600 2.303 2.014 2.693 . 0 0 "[ . 1 . 2]" 2
424 1 39 PHE QE 1 46 CYS HB3 . . 5.180 4.935 4.484 5.159 . 0 0 "[ . 1 . 2]" 2
425 1 45 GLN H 1 46 CYS HB3 . . 5.440 4.532 4.400 4.734 . 0 0 "[ . 1 . 2]" 2
426 1 47 ASN HA 1 48 PRO HD3 . . 3.210 2.495 2.456 2.511 . 0 0 "[ . 1 . 2]" 2
427 1 50 THR HA 1 50 THR MG . . 3.670 2.553 2.203 3.206 . 0 0 "[ . 1 . 2]" 2
428 1 16 VAL HA 1 16 VAL MG2 . . 3.380 3.192 3.183 3.202 . 0 0 "[ . 1 . 2]" 2
429 1 16 VAL MG1 1 17 ILE HA . . 5.500 5.559 5.546 5.585 0.085 9 0 "[ . 1 . 2]" 2
430 1 16 VAL H 1 16 VAL MG2 . . 3.160 2.028 1.873 2.238 . 0 0 "[ . 1 . 2]" 2
431 1 16 VAL MG2 1 17 ILE H . . 3.650 3.179 3.023 3.368 . 0 0 "[ . 1 . 2]" 2
432 1 16 VAL MG2 1 17 ILE MD . . 3.020 2.281 1.937 2.588 . 0 0 "[ . 1 . 2]" 2
433 1 16 VAL MG2 1 17 ILE HG12 . . 3.420 2.312 2.107 2.500 . 0 0 "[ . 1 . 2]" 2
434 1 16 VAL MG2 1 17 ILE HG13 . . 3.890 3.653 3.482 3.787 . 0 0 "[ . 1 . 2]" 2
435 1 16 VAL MG2 1 42 HIS HB2 . . 3.940 3.626 3.234 3.954 0.014 11 0 "[ . 1 . 2]" 2
436 1 16 VAL MG2 1 32 PRO HD2 . . 3.820 3.030 2.708 3.320 . 0 0 "[ . 1 . 2]" 2
437 1 36 VAL HA 1 40 ARG H . . 4.560 4.124 4.002 4.267 . 0 0 "[ . 1 . 2]" 2
438 1 39 PHE HA 1 42 HIS H . . 4.710 3.539 3.323 3.798 . 0 0 "[ . 1 . 2]" 2
439 1 39 PHE HA 1 42 HIS HB2 . . 4.960 3.889 3.542 4.276 . 0 0 "[ . 1 . 2]" 2
440 1 40 ARG HA 1 43 LYS HB2 . . 3.800 3.300 2.438 3.788 . 0 0 "[ . 1 . 2]" 2
441 1 26 CYS H 1 32 PRO HA . . 4.760 4.717 4.629 4.792 0.032 19 0 "[ . 1 . 2]" 2
442 1 23 LYS H 1 34 CYS HA . . 4.360 1.882 1.866 1.896 . 0 0 "[ . 1 . 2]" 2
443 1 47 ASN HA 1 48 PRO HD2 . . 3.040 1.913 1.912 1.915 . 0 0 "[ . 1 . 2]" 2
444 1 28 ALA MB 1 48 PRO HA . . 4.680 3.883 3.245 4.591 . 0 0 "[ . 1 . 2]" 2
445 1 29 CYS HB3 1 48 PRO HA . . 4.360 2.162 1.981 2.663 . 0 0 "[ . 1 . 2]" 2
446 1 29 CYS HB2 1 48 PRO HA . . 4.270 3.383 2.986 3.794 . 0 0 "[ . 1 . 2]" 2
447 1 47 ASN HA 1 48 PRO HG3 . . 4.860 4.379 4.360 4.387 . 0 0 "[ . 1 . 2]" 2
448 1 28 ALA MB 1 48 PRO HD3 . . 4.830 3.505 3.230 3.703 . 0 0 "[ . 1 . 2]" 2
449 1 29 CYS HB3 1 48 PRO HD3 . . 4.620 4.192 3.838 4.492 . 0 0 "[ . 1 . 2]" 2
450 1 47 ASN H 1 48 PRO HD3 . . 4.870 4.134 4.072 4.220 . 0 0 "[ . 1 . 2]" 2
451 1 28 ALA MB 1 48 PRO HD2 . . 4.970 4.846 4.571 4.984 0.014 4 0 "[ . 1 . 2]" 2
452 1 47 ASN HB3 1 48 PRO HD2 . . 4.880 4.096 3.553 4.697 . 0 0 "[ . 1 . 2]" 2
453 1 47 ASN H 1 48 PRO HD2 . . 5.000 4.574 4.542 4.618 . 0 0 "[ . 1 . 2]" 2
454 1 47 ASN HB2 1 48 PRO HD2 . . 4.880 4.386 3.633 4.696 . 0 0 "[ . 1 . 2]" 2
455 1 26 CYS H 1 33 TYR QE . . 4.390 4.189 3.845 4.389 . 0 0 "[ . 1 . 2]" 2
456 1 25 ARG HA 1 33 TYR QE . . 5.000 3.720 3.470 3.917 . 0 0 "[ . 1 . 2]" 2
457 1 33 TYR QE 1 39 PHE H . . 5.000 4.951 4.737 5.037 0.037 18 0 "[ . 1 . 2]" 2
458 1 16 VAL H 1 33 TYR HA . . 4.460 4.226 4.052 4.328 . 0 0 "[ . 1 . 2]" 2
459 1 17 ILE HG13 1 33 TYR HA . . 5.110 4.924 4.783 5.112 0.002 14 0 "[ . 1 . 2]" 2
460 1 33 TYR HB2 1 35 SER H . . 4.770 4.549 4.375 4.680 . 0 0 "[ . 1 . 2]" 2
461 1 33 TYR QE 1 36 VAL HA . . 4.440 3.415 3.047 3.614 . 0 0 "[ . 1 . 2]" 2
462 1 36 VAL HA 1 39 PHE QD . . 4.410 3.188 2.712 4.187 . 0 0 "[ . 1 . 2]" 2
463 1 36 VAL MG1 1 40 ARG HG2 . . 5.340 3.284 2.382 5.233 . 0 0 "[ . 1 . 2]" 2
464 1 39 PHE QD 1 40 ARG HG2 . . 5.010 4.067 3.654 4.590 . 0 0 "[ . 1 . 2]" 2
465 1 27 PRO HD3 1 39 PHE HZ . . 5.180 5.134 4.861 5.207 0.027 11 0 "[ . 1 . 2]" 2
466 1 25 ARG HA 1 30 ARG HA . . 5.040 4.652 4.377 4.863 . 0 0 "[ . 1 . 2]" 2
467 1 25 ARG HG2 1 30 ARG HB3 . . 5.500 4.989 4.324 5.329 . 0 0 "[ . 1 . 2]" 2
468 1 29 CYS HA 1 30 ARG HB2 . . 4.780 4.400 4.270 4.538 . 0 0 "[ . 1 . 2]" 2
469 1 28 ALA MB 1 29 CYS HA . . 4.540 3.825 3.721 3.930 . 0 0 "[ . 1 . 2]" 2
470 1 29 CYS HA 1 30 ARG HG2 . . 5.500 4.150 3.378 5.493 . 0 0 "[ . 1 . 2]" 2
471 1 29 CYS HA 1 30 ARG HG3 . . 5.500 4.905 4.509 5.376 . 0 0 "[ . 1 . 2]" 2
472 1 29 CYS HB3 1 48 PRO HG3 . . 5.500 5.251 4.743 5.518 0.018 20 0 "[ . 1 . 2]" 2
473 1 28 ALA MB 1 29 CYS HB2 . . 4.970 4.818 4.734 4.899 . 0 0 "[ . 1 . 2]" 2
474 1 29 CYS HB2 1 30 ARG HB2 . . 5.050 4.880 4.744 4.942 . 0 0 "[ . 1 . 2]" 2
475 1 28 ALA MB 1 48 PRO HG3 . . 4.050 3.271 2.876 3.750 . 0 0 "[ . 1 . 2]" 2
476 1 27 PRO HA 1 30 ARG H . . 4.790 4.571 4.393 4.806 0.016 9 0 "[ . 1 . 2]" 2
477 1 26 CYS HA 1 27 PRO HD2 . . 3.230 2.037 2.004 2.075 . 0 0 "[ . 1 . 2]" 2
478 1 27 PRO HD2 1 39 PHE QE . . 3.880 3.536 2.619 3.895 0.015 4 0 "[ . 1 . 2]" 2
479 1 26 CYS HA 1 27 PRO HD3 . . 3.150 2.281 2.265 2.299 . 0 0 "[ . 1 . 2]" 2
480 1 25 ARG HA 1 26 CYS HB3 . . 4.910 4.883 4.793 4.946 0.036 18 0 "[ . 1 . 2]" 2
481 1 25 ARG HA 1 32 PRO HB3 . . 5.500 5.491 5.388 5.544 0.044 10 0 "[ . 1 . 2]" 2
482 1 25 ARG HA 1 33 TYR QD . . 4.660 2.615 2.284 2.913 . 0 0 "[ . 1 . 2]" 2
483 1 25 ARG HG2 1 26 CYS H . . 4.900 3.529 3.369 3.908 . 0 0 "[ . 1 . 2]" 2
484 1 25 ARG H 1 25 ARG HG2 . . 4.970 4.422 4.224 4.574 . 0 0 "[ . 1 . 2]" 2
485 1 25 ARG HG2 1 30 ARG HA . . 4.750 4.443 3.964 4.763 0.013 6 0 "[ . 1 . 2]" 2
486 1 24 TYR HA 1 25 ARG HG3 . . 4.240 4.044 3.815 4.243 0.003 2 0 "[ . 1 . 2]" 2
487 1 24 TYR HA 1 24 TYR QD . . 3.330 3.199 3.020 3.281 . 0 0 "[ . 1 . 2]" 2
488 1 24 TYR QD 1 33 TYR QD . . 4.620 3.808 3.651 4.047 . 0 0 "[ . 1 . 2]" 2
489 1 23 LYS HE2 1 24 TYR QE . . 5.500 4.414 2.172 5.454 . 0 0 "[ . 1 . 2]" 2
490 1 23 LYS HE3 1 24 TYR QE . . 5.500 4.227 2.176 5.496 . 0 0 "[ . 1 . 2]" 2
491 1 24 TYR QE 1 33 TYR QE . . 4.810 3.922 3.614 4.300 . 0 0 "[ . 1 . 2]" 2
492 1 24 TYR H 1 24 TYR QE . . 4.530 4.324 4.231 4.516 . 0 0 "[ . 1 . 2]" 2
493 1 23 LYS HB2 1 23 LYS HE2 . . 5.500 3.795 2.054 4.875 . 0 0 "[ . 1 . 2]" 2
494 1 23 LYS HB2 1 23 LYS HE3 . . 5.500 3.706 2.147 4.881 . 0 0 "[ . 1 . 2]" 2
495 1 23 LYS HB3 1 23 LYS HE2 . . 5.500 4.176 2.287 5.267 . 0 0 "[ . 1 . 2]" 2
496 1 23 LYS HB3 1 23 LYS HE3 . . 5.500 3.985 2.001 4.672 . 0 0 "[ . 1 . 2]" 2
497 1 22 PRO HA 1 34 CYS H . . 4.570 3.517 3.261 3.595 . 0 0 "[ . 1 . 2]" 2
498 1 15 CYS H 1 22 PRO HG3 . . 4.870 3.460 3.195 3.738 . 0 0 "[ . 1 . 2]" 2
499 1 14 VAL H 1 22 PRO HG3 . . 4.940 4.826 4.659 4.963 0.023 2 0 "[ . 1 . 2]" 2
500 1 21 LYS HB3 1 21 LYS HE2 . . 5.500 4.021 2.546 4.704 . 0 0 "[ . 1 . 2]" 2
501 1 21 LYS HB3 1 21 LYS HE3 . . 5.500 4.042 2.159 4.990 . 0 0 "[ . 1 . 2]" 2
502 1 21 LYS HB2 1 21 LYS HE2 . . 5.500 3.792 1.988 4.880 . 0 0 "[ . 1 . 2]" 2
503 1 21 LYS HB2 1 21 LYS HE3 . . 5.500 3.835 2.780 4.726 . 0 0 "[ . 1 . 2]" 2
504 1 21 LYS HB2 1 22 PRO HD3 . . 5.430 5.020 4.770 5.146 . 0 0 "[ . 1 . 2]" 2
505 1 21 LYS HG2 1 22 PRO HD3 . . 5.210 5.014 4.551 5.211 0.001 20 0 "[ . 1 . 2]" 2
506 1 21 LYS HG3 1 22 PRO HD3 . . 5.210 4.765 4.296 5.101 . 0 0 "[ . 1 . 2]" 2
507 1 18 CYS HB2 1 19 LEU H . . 4.560 4.181 4.083 4.238 . 0 0 "[ . 1 . 2]" 2
508 1 18 CYS HB2 1 20 GLU H . . 5.040 4.739 4.288 4.888 . 0 0 "[ . 1 . 2]" 2
509 1 18 CYS HB3 1 19 LEU H . . 4.650 4.180 4.126 4.300 . 0 0 "[ . 1 . 2]" 2
510 1 17 ILE MG 1 41 LYS H . . 5.420 4.870 4.561 5.073 . 0 0 "[ . 1 . 2]" 2
511 1 17 ILE MD 1 18 CYS H . . 4.960 4.553 4.452 4.630 . 0 0 "[ . 1 . 2]" 2
512 1 17 ILE MD 1 38 CYS HB3 . . 4.260 3.903 3.726 4.066 . 0 0 "[ . 1 . 2]" 2
513 1 16 VAL HB 1 32 PRO HD2 . . 5.500 5.026 4.854 5.277 . 0 0 "[ . 1 . 2]" 2
514 1 16 VAL HB 1 17 ILE H . . 4.840 4.388 4.345 4.442 . 0 0 "[ . 1 . 2]" 2
515 1 16 VAL MG2 1 33 TYR HA . . 4.660 4.554 4.419 4.672 0.012 17 0 "[ . 1 . 2]" 2
516 1 15 CYS HB2 1 16 VAL H . . 4.760 4.350 4.317 4.381 . 0 0 "[ . 1 . 2]" 2
517 1 15 CYS HB3 1 22 PRO HB3 . . 5.050 4.922 4.755 5.061 0.011 6 0 "[ . 1 . 2]" 2
518 1 14 VAL MG2 1 15 CYS HB3 . . 4.840 4.417 4.301 4.634 . 0 0 "[ . 1 . 2]" 2
519 1 13 VAL H 1 14 VAL MG1 . . 5.100 4.423 3.981 4.943 . 0 0 "[ . 1 . 2]" 2
520 1 25 ARG HD2 1 32 PRO HB3 . . 5.500 5.310 4.184 5.523 0.023 14 0 "[ . 1 . 2]" 2
521 1 25 ARG HD3 1 32 PRO HB3 . . 5.500 4.491 3.776 5.521 0.021 4 0 "[ . 1 . 2]" 2
522 1 14 VAL H 1 32 PRO HG3 . . 4.720 3.801 3.455 4.336 . 0 0 "[ . 1 . 2]" 2
523 1 16 VAL H 1 32 PRO HG3 . . 4.790 3.944 3.744 4.233 . 0 0 "[ . 1 . 2]" 2
524 1 16 VAL H 1 32 PRO HD3 . . 5.490 5.046 4.835 5.364 . 0 0 "[ . 1 . 2]" 2
525 1 31 VAL H 1 32 PRO HD3 . . 5.500 5.003 4.970 5.037 . 0 0 "[ . 1 . 2]" 2
526 1 13 VAL MG2 1 32 PRO HD3 . . 5.500 3.074 2.574 3.763 . 0 0 "[ . 1 . 2]" 2
527 1 13 VAL MG1 1 32 PRO HD2 . . 5.140 4.272 3.852 4.609 . 0 0 "[ . 1 . 2]" 2
528 1 13 VAL MG2 1 32 PRO HD2 . . 5.480 3.759 3.383 4.175 . 0 0 "[ . 1 . 2]" 2
529 1 16 VAL H 1 32 PRO HD2 . . 4.610 3.820 3.594 4.141 . 0 0 "[ . 1 . 2]" 2
530 1 17 ILE HG12 1 33 TYR HA . . 5.280 4.506 4.319 4.665 . 0 0 "[ . 1 . 2]" 2
531 1 32 PRO HB2 1 33 TYR HA . . 5.500 4.243 4.206 4.277 . 0 0 "[ . 1 . 2]" 2
532 1 17 ILE MD 1 33 TYR HB2 . . 5.350 5.387 5.375 5.408 0.058 8 0 "[ . 1 . 2]" 2
533 1 33 TYR QE 1 39 PHE QD . . 4.530 4.340 3.090 4.531 0.001 15 0 "[ . 1 . 2]" 2
534 1 34 CYS HB3 1 35 SER H . . 4.960 3.658 3.622 3.760 . 0 0 "[ . 1 . 2]" 2
535 1 33 TYR HA 1 34 CYS HB3 . . 4.910 4.832 4.740 4.869 . 0 0 "[ . 1 . 2]" 2
536 1 20 GLU HB2 1 34 CYS HB3 . . 4.520 3.374 3.262 3.558 . 0 0 "[ . 1 . 2]" 2
537 1 20 GLU HB2 1 34 CYS HB2 . . 4.740 4.686 4.642 4.746 0.006 9 0 "[ . 1 . 2]" 2
538 1 34 CYS HB2 1 35 SER H . . 5.000 2.746 2.645 3.122 . 0 0 "[ . 1 . 2]" 2
539 1 35 SER HA 1 37 VAL H . . 4.830 4.553 4.146 4.763 . 0 0 "[ . 1 . 2]" 2
540 1 37 VAL MG2 1 40 ARG HG3 . . 4.660 4.123 3.933 4.464 . 0 0 "[ . 1 . 2]" 2
541 1 37 VAL MG2 1 40 ARG HD2 . . 5.500 4.295 3.235 5.509 0.009 20 0 "[ . 1 . 2]" 2
542 1 37 VAL MG2 1 40 ARG HD3 . . 5.500 4.481 3.693 5.508 0.008 5 0 "[ . 1 . 2]" 2
543 1 17 ILE MD 1 38 CYS HA . . 4.550 4.051 3.623 4.356 . 0 0 "[ . 1 . 2]" 2
544 1 17 ILE MG 1 38 CYS HB2 . . 4.550 4.186 3.975 4.484 . 0 0 "[ . 1 . 2]" 2
545 1 39 PHE QD 1 40 ARG H . . 4.990 3.851 3.309 4.127 . 0 0 "[ . 1 . 2]" 2
546 1 39 PHE QE 1 43 LYS HD2 . . 4.780 3.758 2.688 4.778 . 0 0 "[ . 1 . 2]" 2
547 1 27 PRO HD3 1 39 PHE QE . . 5.060 4.762 3.482 4.983 . 0 0 "[ . 1 . 2]" 2
548 1 39 PHE QE 1 43 LYS HG2 . . 5.500 4.174 2.424 5.065 . 0 0 "[ . 1 . 2]" 2
549 1 39 PHE QE 1 43 LYS HG3 . . 5.500 4.552 2.000 5.507 0.007 15 0 "[ . 1 . 2]" 2
550 1 36 VAL MG2 1 40 ARG HG2 . . 5.340 4.367 2.884 5.348 0.008 4 0 "[ . 1 . 2]" 2
551 1 17 ILE MD 1 41 LYS HG2 . . 5.500 5.405 4.452 5.531 0.031 13 0 "[ . 1 . 2]" 2
552 1 17 ILE MD 1 41 LYS HG3 . . 5.500 5.244 4.945 5.513 0.013 16 0 "[ . 1 . 2]" 2
553 1 17 ILE MD 1 42 HIS HA . . 3.980 3.516 3.234 3.931 . 0 0 "[ . 1 . 2]" 2
554 1 42 HIS HB2 1 43 LYS H . . 4.840 3.896 3.749 4.069 . 0 0 "[ . 1 . 2]" 2
555 1 42 HIS HD2 1 43 LYS HB2 . . 4.640 3.485 3.156 4.307 . 0 0 "[ . 1 . 2]" 2
556 1 26 CYS HB2 1 42 HIS HD2 . . 4.360 3.797 3.394 4.213 . 0 0 "[ . 1 . 2]" 2
557 1 42 HIS HD2 1 43 LYS HA . . 4.560 3.130 2.723 3.389 . 0 0 "[ . 1 . 2]" 2
558 1 31 VAL HB 1 42 HIS HE1 . . 5.500 4.993 4.566 5.521 0.021 20 0 "[ . 1 . 2]" 2
559 1 39 PHE QE 1 43 LYS HA . . 4.960 3.849 3.107 4.197 . 0 0 "[ . 1 . 2]" 2
560 1 43 LYS HB2 1 44 GLU H . . 4.950 3.765 2.949 4.026 . 0 0 "[ . 1 . 2]" 2
561 1 39 PHE QE 1 43 LYS HD3 . . 4.780 3.383 2.453 4.796 0.016 11 0 "[ . 1 . 2]" 2
562 1 43 LYS HB3 1 44 GLU HA . . 4.780 4.104 3.832 4.315 . 0 0 "[ . 1 . 2]" 2
563 1 42 HIS HE1 1 46 CYS HB3 . . 5.060 4.635 4.363 5.046 . 0 0 "[ . 1 . 2]" 2
564 1 47 ASN HA 1 48 PRO HG2 . . 4.720 4.116 4.114 4.121 . 0 0 "[ . 1 . 2]" 2
565 1 29 CYS HA 1 48 PRO HA . . 4.540 2.664 2.259 3.472 . 0 0 "[ . 1 . 2]" 2
566 1 28 ALA MB 1 48 PRO HG2 . . 5.040 4.564 4.258 4.826 . 0 0 "[ . 1 . 2]" 2
567 1 16 VAL MG2 1 42 HIS HB3 . . 5.500 4.728 4.355 5.052 . 0 0 "[ . 1 . 2]" 2
568 1 17 ILE HG13 1 42 HIS HB2 . . 5.170 3.999 3.632 4.529 . 0 0 "[ . 1 . 2]" 2
569 1 41 LYS HB2 1 42 HIS HB2 . . 5.500 4.695 4.545 4.953 . 0 0 "[ . 1 . 2]" 2
570 1 25 ARG HG3 1 32 PRO HA . . 4.320 3.003 2.557 3.302 . 0 0 "[ . 1 . 2]" 2
571 1 27 PRO HD2 1 39 PHE HZ . . 4.020 3.734 3.313 3.912 . 0 0 "[ . 1 . 2]" 2
572 1 14 VAL HB 1 19 LEU QD . . 4.610 4.153 3.715 4.632 0.022 19 0 "[ . 1 . 2]" 2
573 1 16 VAL HA 1 19 LEU QD . . 4.050 3.133 2.654 3.692 . 0 0 "[ . 1 . 2]" 2
574 1 17 ILE H 1 19 LEU QD . . 4.810 3.737 3.206 4.095 . 0 0 "[ . 1 . 2]" 2
575 1 17 ILE MG 1 41 LYS QD . . 3.400 2.648 2.383 3.411 0.011 20 0 "[ . 1 . 2]" 2
576 1 18 CYS HB2 1 20 GLU QG . . 4.260 2.791 2.653 2.908 . 0 0 "[ . 1 . 2]" 2
577 1 19 LEU H 1 19 LEU QD . . 3.400 2.865 2.379 3.358 . 0 0 "[ . 1 . 2]" 2
578 1 19 LEU HA 1 19 LEU QD . . 3.060 2.619 2.087 3.045 . 0 0 "[ . 1 . 2]" 2
579 1 19 LEU HB2 1 19 LEU QD . . 2.960 2.114 2.017 2.273 . 0 0 "[ . 1 . 2]" 2
580 1 20 GLU H 1 20 GLU QG . . 3.390 3.058 2.934 3.143 . 0 0 "[ . 1 . 2]" 2
581 1 20 GLU HA 1 20 GLU QG . . 3.300 2.429 2.314 2.636 . 0 0 "[ . 1 . 2]" 2
582 1 20 GLU HA 1 21 LYS QB . . 4.840 4.397 4.234 4.561 . 0 0 "[ . 1 . 2]" 2
583 1 20 GLU HB3 1 21 LYS QB . . 4.520 3.818 3.661 3.949 . 0 0 "[ . 1 . 2]" 2
584 1 20 GLU QG 1 21 LYS H . . 4.090 4.017 3.885 4.217 0.127 19 0 "[ . 1 . 2]" 2
585 1 21 LYS H 1 21 LYS QB . . 2.880 2.277 2.094 2.426 . 0 0 "[ . 1 . 2]" 2
586 1 21 LYS H 1 21 LYS QG . . 4.010 3.208 2.277 3.983 . 0 0 "[ . 1 . 2]" 2
587 1 21 LYS HA 1 21 LYS QD . . 4.820 4.015 3.771 4.253 . 0 0 "[ . 1 . 2]" 2
588 1 21 LYS QB 1 21 LYS QE . . 4.230 2.879 1.962 3.638 . 0 0 "[ . 1 . 2]" 2
589 1 21 LYS QB 1 22 PRO HD2 . . 3.850 3.756 3.568 3.923 0.073 3 0 "[ . 1 . 2]" 2
590 1 21 LYS QB 1 22 PRO HD3 . . 4.660 4.421 4.366 4.475 . 0 0 "[ . 1 . 2]" 2
591 1 21 LYS QG 1 22 PRO HD3 . . 4.500 4.332 4.056 4.494 . 0 0 "[ . 1 . 2]" 2
592 1 23 LYS H 1 23 LYS QG . . 4.900 2.785 2.345 4.033 . 0 0 "[ . 1 . 2]" 2
593 1 23 LYS HA 1 23 LYS QG . . 3.310 2.368 2.217 2.961 . 0 0 "[ . 1 . 2]" 2
594 1 23 LYS HA 1 23 LYS QD . . 4.630 3.779 2.035 4.210 . 0 0 "[ . 1 . 2]" 2
595 1 23 LYS QB 1 23 LYS QD . . 3.300 2.167 2.054 2.542 . 0 0 "[ . 1 . 2]" 2
596 1 23 LYS QB 1 23 LYS QE . . 4.260 2.861 1.974 3.666 . 0 0 "[ . 1 . 2]" 2
597 1 23 LYS QB 1 24 TYR H . . 3.790 2.677 2.585 2.812 . 0 0 "[ . 1 . 2]" 2
598 1 23 LYS QB 1 24 TYR QD . . 3.770 2.564 2.290 2.729 . 0 0 "[ . 1 . 2]" 2
599 1 23 LYS QB 1 24 TYR QE . . 4.470 2.464 2.154 2.869 . 0 0 "[ . 1 . 2]" 2
600 1 23 LYS QE 1 23 LYS QG . . 3.330 2.236 2.058 2.628 . 0 0 "[ . 1 . 2]" 2
601 1 23 LYS QG 1 24 TYR QE . . 4.210 3.875 2.254 4.161 . 0 0 "[ . 1 . 2]" 2
602 1 23 LYS QG 1 34 CYS HA . . 4.320 3.575 2.851 4.391 0.071 9 0 "[ . 1 . 2]" 2
603 1 23 LYS QD 1 24 TYR QD . . 4.380 4.193 3.895 4.409 0.029 6 0 "[ . 1 . 2]" 2
604 1 23 LYS QD 1 24 TYR QE . . 4.720 2.914 2.399 3.800 . 0 0 "[ . 1 . 2]" 2
605 1 25 ARG HA 1 25 ARG QD . . 4.410 3.982 3.919 4.097 . 0 0 "[ . 1 . 2]" 2
606 1 25 ARG QB 1 25 ARG QD . . 3.080 2.215 2.089 2.348 . 0 0 "[ . 1 . 2]" 2
607 1 25 ARG QB 1 26 CYS H . . 4.160 2.535 2.416 2.877 . 0 0 "[ . 1 . 2]" 2
608 1 25 ARG QB 1 27 PRO HA . . 5.340 4.979 4.911 5.051 . 0 0 "[ . 1 . 2]" 2
609 1 25 ARG QB 1 30 ARG HA . . 3.490 2.469 2.233 2.623 . 0 0 "[ . 1 . 2]" 2
610 1 25 ARG QB 1 30 ARG HB3 . . 5.340 3.486 3.139 3.701 . 0 0 "[ . 1 . 2]" 2
611 1 25 ARG QB 1 33 TYR QE . . 5.340 4.805 4.561 5.136 . 0 0 "[ . 1 . 2]" 2
612 1 25 ARG QD 1 30 ARG HA . . 4.500 3.550 3.310 4.039 . 0 0 "[ . 1 . 2]" 2
613 1 25 ARG QD 1 30 ARG HB2 . . 4.820 4.218 3.825 4.706 . 0 0 "[ . 1 . 2]" 2
614 1 25 ARG QD 1 30 ARG HB3 . . 4.020 2.950 2.584 3.371 . 0 0 "[ . 1 . 2]" 2
615 1 25 ARG QD 1 32 PRO HA . . 4.480 3.737 3.382 4.208 . 0 0 "[ . 1 . 2]" 2
616 1 26 CYS HB3 1 31 VAL QG . . 3.700 2.109 1.951 2.444 . 0 0 "[ . 1 . 2]" 2
617 1 27 PRO QB 1 28 ALA H . . 3.880 3.808 3.792 3.823 . 0 0 "[ . 1 . 2]" 2
618 1 28 ALA MB 1 48 PRO QB . . 4.580 2.378 1.966 3.069 . 0 0 "[ . 1 . 2]" 2
619 1 29 CYS HA 1 48 PRO QB . . 4.790 3.273 2.749 3.683 . 0 0 "[ . 1 . 2]" 2
620 1 29 CYS HB2 1 31 VAL QG . . 4.680 2.602 2.419 2.774 . 0 0 "[ . 1 . 2]" 2
621 1 30 ARG H 1 30 ARG QG . . 4.370 2.899 2.700 3.299 . 0 0 "[ . 1 . 2]" 2
622 1 30 ARG HB2 1 30 ARG QD . . 3.700 2.991 2.113 3.469 . 0 0 "[ . 1 . 2]" 2
623 1 30 ARG HB3 1 30 ARG QD . . 3.690 2.607 2.109 3.289 . 0 0 "[ . 1 . 2]" 2
624 1 31 VAL H 1 31 VAL QG . . 3.470 1.874 1.782 2.039 . 0 0 "[ . 1 . 2]" 2
625 1 31 VAL QG 1 32 PRO HD2 . . 3.740 2.874 2.769 2.950 . 0 0 "[ . 1 . 2]" 2
626 1 31 VAL QG 1 32 PRO HD3 . . 4.220 3.630 3.472 3.719 . 0 0 "[ . 1 . 2]" 2
627 1 31 VAL QG 1 42 HIS HB2 . . 5.320 3.827 3.522 4.120 . 0 0 "[ . 1 . 2]" 2
628 1 31 VAL QG 1 42 HIS HB3 . . 5.440 4.069 3.760 4.331 . 0 0 "[ . 1 . 2]" 2
629 1 31 VAL QG 1 42 HIS HD2 . . 5.290 3.517 3.278 3.854 . 0 0 "[ . 1 . 2]" 2
630 1 33 TYR QE 1 36 VAL QG . . 4.640 3.649 3.159 4.400 . 0 0 "[ . 1 . 2]" 2
631 1 33 TYR QE 1 39 PHE QB . . 3.880 3.585 3.401 3.668 . 0 0 "[ . 1 . 2]" 2
632 1 35 SER HA 1 36 VAL QG . . 4.420 3.893 3.557 4.449 0.029 10 0 "[ . 1 . 2]" 2
633 1 35 SER QB 1 36 VAL QG . . 4.530 3.408 2.704 4.143 . 0 0 "[ . 1 . 2]" 2
634 1 35 SER QB 1 37 VAL H . . 3.430 2.761 2.426 3.412 . 0 0 "[ . 1 . 2]" 2
635 1 35 SER QB 1 37 VAL HB . . 4.720 3.229 2.998 3.573 . 0 0 "[ . 1 . 2]" 2
636 1 35 SER QB 1 37 VAL MG1 . . 5.340 4.534 4.410 4.819 . 0 0 "[ . 1 . 2]" 2
637 1 36 VAL HA 1 36 VAL QG . . 3.010 2.152 2.060 2.319 . 0 0 "[ . 1 . 2]" 2
638 1 36 VAL HA 1 39 PHE QB . . 3.190 2.179 1.994 2.296 . 0 0 "[ . 1 . 2]" 2
639 1 36 VAL QG 1 37 VAL H . . 3.580 2.632 1.800 3.356 . 0 0 "[ . 1 . 2]" 2
640 1 36 VAL QG 1 39 PHE H . . 4.400 4.012 3.823 4.347 . 0 0 "[ . 1 . 2]" 2
641 1 36 VAL QG 1 39 PHE QB . . 4.080 2.923 2.516 3.634 . 0 0 "[ . 1 . 2]" 2
642 1 36 VAL QG 1 39 PHE QD . . 4.680 2.611 1.998 3.812 . 0 0 "[ . 1 . 2]" 2
643 1 36 VAL QG 1 40 ARG HB2 . . 5.030 4.376 4.144 5.000 . 0 0 "[ . 1 . 2]" 2
644 1 36 VAL QG 1 40 ARG HB3 . . 5.440 4.700 4.399 5.483 0.043 15 0 "[ . 1 . 2]" 2
645 1 36 VAL QG 1 40 ARG HG2 . . 4.230 2.841 2.378 3.919 . 0 0 "[ . 1 . 2]" 2
646 1 36 VAL QG 1 40 ARG HG3 . . 4.810 2.517 2.104 3.198 . 0 0 "[ . 1 . 2]" 2
647 1 36 VAL QG 1 40 ARG QD . . 3.980 2.935 2.541 3.715 . 0 0 "[ . 1 . 2]" 2
648 1 37 VAL HA 1 40 ARG QD . . 4.420 2.921 2.169 3.700 . 0 0 "[ . 1 . 2]" 2
649 1 38 CYS HA 1 41 LYS QG . . 4.250 4.118 3.891 4.272 0.022 14 0 "[ . 1 . 2]" 2
650 1 38 CYS HA 1 41 LYS QD . . 3.510 2.986 2.598 3.502 . 0 0 "[ . 1 . 2]" 2
651 1 39 PHE H 1 39 PHE QB . . 2.840 2.225 2.173 2.253 . 0 0 "[ . 1 . 2]" 2
652 1 39 PHE QE 1 43 LYS QG . . 4.780 3.763 1.976 4.534 . 0 0 "[ . 1 . 2]" 2
653 1 39 PHE QE 1 43 LYS QD . . 4.200 3.049 2.384 4.182 . 0 0 "[ . 1 . 2]" 2
654 1 39 PHE QE 1 46 CYS QB . . 4.460 3.856 3.370 4.196 . 0 0 "[ . 1 . 2]" 2
655 1 39 PHE HZ 1 43 LYS QD . . 4.600 2.621 1.981 4.189 . 0 0 "[ . 1 . 2]" 2
656 1 40 ARG HA 1 40 ARG QD . . 4.780 3.971 3.639 4.182 . 0 0 "[ . 1 . 2]" 2
657 1 40 ARG HA 1 43 LYS QG . . 4.840 4.345 3.270 4.858 0.018 13 0 "[ . 1 . 2]" 2
658 1 40 ARG HB3 1 40 ARG QD . . 3.330 2.416 2.147 2.773 . 0 0 "[ . 1 . 2]" 2
659 1 41 LYS H 1 41 LYS QD . . 4.540 3.252 1.878 3.731 . 0 0 "[ . 1 . 2]" 2
660 1 41 LYS HA 1 41 LYS QG . . 3.580 2.487 2.241 2.556 . 0 0 "[ . 1 . 2]" 2
661 1 41 LYS HA 1 41 LYS QE . . 5.340 4.501 3.555 4.977 . 0 0 "[ . 1 . 2]" 2
662 1 41 LYS HA 1 44 GLU QB . . 3.810 3.523 3.040 3.834 0.024 20 0 "[ . 1 . 2]" 2
663 1 41 LYS HA 1 44 GLU QG . . 3.980 3.253 2.211 4.018 0.038 6 0 "[ . 1 . 2]" 2
664 1 41 LYS HB2 1 41 LYS QD . . 3.580 2.253 2.089 2.448 . 0 0 "[ . 1 . 2]" 2
665 1 41 LYS HB3 1 41 LYS QE . . 4.850 3.439 2.057 4.254 . 0 0 "[ . 1 . 2]" 2
666 1 42 HIS HD2 1 43 LYS QG . . 5.340 4.686 2.566 5.370 0.030 8 0 "[ . 1 . 2]" 2
667 1 42 HIS HD2 1 46 CYS QB . . 4.660 3.092 2.747 3.324 . 0 0 "[ . 1 . 2]" 2
668 1 42 HIS HE1 1 46 CYS QB . . 4.230 3.184 2.858 3.590 . 0 0 "[ . 1 . 2]" 2
669 1 43 LYS H 1 43 LYS QG . . 4.520 3.915 2.713 4.076 . 0 0 "[ . 1 . 2]" 2
670 1 43 LYS HB2 1 46 CYS QB . . 4.290 3.980 3.786 4.348 0.058 16 0 "[ . 1 . 2]" 2
671 1 43 LYS QD 1 46 CYS QB . . 5.180 3.102 2.385 4.430 . 0 0 "[ . 1 . 2]" 2
672 1 43 LYS QE 1 46 CYS QB . . 4.740 4.199 1.977 4.772 0.032 6 0 "[ . 1 . 2]" 2
673 1 44 GLU H 1 44 GLU QG . . 3.460 2.557 1.989 3.451 . 0 0 "[ . 1 . 2]" 2
674 1 44 GLU HA 1 44 GLU QG . . 3.170 2.724 2.209 3.262 0.092 9 0 "[ . 1 . 2]" 2
675 1 44 GLU QB 1 45 GLN H . . 3.560 2.798 2.415 3.402 . 0 0 "[ . 1 . 2]" 2
676 1 45 GLN H 1 45 GLN QB . . 3.250 2.796 2.445 3.037 . 0 0 "[ . 1 . 2]" 2
677 1 45 GLN H 1 45 GLN QG . . 3.410 2.517 1.969 3.366 . 0 0 "[ . 1 . 2]" 2
678 1 45 GLN HA 1 45 GLN QG . . 3.590 3.021 2.166 3.444 . 0 0 "[ . 1 . 2]" 2
679 1 45 GLN QG 1 46 CYS H . . 4.850 3.943 3.573 4.576 . 0 0 "[ . 1 . 2]" 2
680 1 47 ASN QB 1 48 PRO HD2 . . 4.100 3.692 3.431 3.975 . 0 0 "[ . 1 . 2]" 2
681 1 49 GLU H 1 49 GLU QB . . 3.680 2.436 2.160 3.050 . 0 0 "[ . 1 . 2]" 2
682 1 49 GLU H 1 49 GLU QG . . 3.800 2.969 2.179 3.872 0.072 17 0 "[ . 1 . 2]" 2
683 1 49 GLU HA 1 49 GLU QG . . 3.660 2.671 2.180 3.479 . 0 0 "[ . 1 . 2]" 2
684 1 52 GLY QA 1 53 PRO QD . . 3.120 2.008 1.840 2.335 . 0 0 "[ . 1 . 2]" 2
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